Geometry & MOs

Info

ID:	214066
PubChem CID:	81066859
Reduced:	N4O4C11H16 (1)
Stoich.:	A4B4C11D16 (1)
Weight, g/mol:	300.128549
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	7.86
IP(EA), eV:	-9.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC(=C(C=C1)[N+](=O)[O-])N

DOS

IR

Vibrations