Geometry & MOs

Info

ID:	213587
PubChem CID:	81064297
Reduced:	ClNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-152.76
Dipole, Da:	3.47
IP(EA), eV:	-9.46(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations