Geometry & MOs

Info

ID:	146193
PubChem CID:	53649115
Reduced:	ON2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	34.86
Dipole, Da:	6.73
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(5H-1-benzazepin-3-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC(=NC2=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations