Geometry & MOs

Info

ID:	258493
PubChem CID:	103154482
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	-110.97
Dipole, Da:	2.02
IP(EA), eV:	-8.83(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(4-amino-3-methoxybutanoyl)amino]-2-chlorobenzoate

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)NC(=O)CC(CN)OC

DOS

IR

Vibrations