Geometry & MOs

Info

ID:	435626
PubChem CID:	135191968
Reduced:	NOH4C5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	-4.27
Dipole, Da:	3.11
IP(EA), eV:	-9.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)NC(=O)C(=NC(=O)C3=NOC(=C3)CC4=CC=CC=C4)CO2

DOS

IR

Vibrations