Geometry & MOs

Info

ID:	168455
PubChem CID:	74969698
Reduced:	NOC4H9 (2)
Stoich.:	ABC4D9 (2)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-66.45
Dipole, Da:	1.81
IP(EA), eV:	-8.93(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-amino-3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCON=CC(CNC(C)C)O

DOS

IR

Vibrations