Geometry & MOs

Info

ID:	379038
PubChem CID:	134352126
Reduced:	FO2N3H26C27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	455.257277
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	3.78
IP(EA), eV:	-8.25(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1CC(N=C2)C(=O)NC3CCNC4=C3C=C(C=C4)CC5=CC=C(C=C5)F)O

DOS

IR

Vibrations