Geometry & MOs

Info

ID:	227616
PubChem CID:	87562097
Reduced:	ClO2N3H28C29 (1)
Stoich.:	AB2C3D28E29 (1)
Weight, g/mol:	395.00729
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	5.19
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7,8-diamino-5-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone;palladium

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC1(C2=CC=C(C=C2)C3=C(C=C4C=C(N=CC4=N3)Cl)C5=CC=CC=C5)OC(=O)N

DOS

IR

Vibrations