Geometry & MOs

Info

ID:

379066

PubChem CID:

134352210

Reduced:

BrF2N3O4H32C35 (1)

Stoich.:

AB2C3D4E32F35 (1)

Weight, g/mol:

471.252192

ΔHf, kcal/mol:

-166.57

Dipole, Da:

4.13

IP(EA), eV:

 -9.06(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-hydroxy-N-[6-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3C(=O)OCC4=CC=CC=C4)C5=CC6=C(C=C5)C7=C(C6(F)F)C=C(C=C7)Br

DOS

IR

Vibrations