Geometry & MOs

Info

ID:	183625
PubChem CID:	77045851
Reduced:	O2N3C5H7 (2)
Stoich.:	A2B3C5D7 (2)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-48.07
Dipole, Da:	5.0
IP(EA), eV:	-10.13(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(CC1=NC=NN1)C(=O)C2CC(CNC2=O)[N+](=O)[O-]

DOS

IR

Vibrations