Geometry & MOs

Info

ID:	223501
PubChem CID:	85335132
Reduced:	ClO5N6C14H25 (1)
Stoich.:	AB5C6D14E25 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-219.91
Dipole, Da:	6.54
IP(EA), eV:	-9.39(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]pentanoic acid

Drug info:

PubChemData

Smile

C(CC(C(=O)CCl)NC(=O)CNC(=O)C(CCC(=O)O)N)CN=C(N)N

DOS

IR

Vibrations