Geometry & MOs

Info

ID:	258545
PubChem CID:	103154856
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	8.71
IP(EA), eV:	-9.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-3-methoxybutanoyl)amino]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NN=CO2)NC(=O)CC(CN)OC

DOS

IR

Vibrations