Geometry & MOs

Info

ID:	336841
PubChem CID:	127255848
Reduced:	ClO2N3H4C5 (1)
Stoich.:	AB2C3D4E5 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	34.2
Dipole, Da:	3.82
IP(EA), eV:	-10.58(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-phenyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)[N+](=O)[O-])Cl

DOS

IR

Vibrations