Geometry & MOs

Info

ID:	182769
PubChem CID:	76936561
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-117.1
Dipole, Da:	4.39
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-4-[2-(methylcarbamoyl)pyrrolidin-1-yl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCNC(=O)CN(CC)C1=CC(=C(C=C1)C=CC(=O)O)C

DOS

IR

Vibrations