Geometry & MOs

Info

ID:	213281
PubChem CID:	81063330
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	5.46
IP(EA), eV:	-9.68(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations