Geometry & MOs

Info

ID:	149236
PubChem CID:	53788908
Reduced:	ClNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	498.226705
ΔH_f, kcal/mol:	19.95
Dipole, Da:	7.86
IP(EA), eV:	-8.35(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-[(4-carbamimidoylphenyl)-methylcarbamoyl]-2-(2-phenylethyl)-1,3,4,5-tetrahydro-2-benzazepin-4-yl]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations