Geometry & MOs

Info

ID:	213761
PubChem CID:	81064911
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-92.25
Dipole, Da:	2.08
IP(EA), eV:	-9.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-ethylbenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C2C=CC=NC2=CC=C1

DOS

IR

Vibrations