Geometry & MOs

Info

ID:	342361
PubChem CID:	127265184
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-16.16
Dipole, Da:	5.97
IP(EA), eV:	-9.17(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl(3-pyridin-4-ylprop-2-enoyl)amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)OC1=NC=CC(=C1)C2=NC(=NO2)CN3C=CC=CC3=O

DOS

IR

Vibrations