Geometry & MOs

Info

ID:	375100
PubChem CID:	131465934
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	6.61
IP(EA), eV:	-9.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-cyano-1,4-dimethylpyrrol-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(NC(=C1)CCCC#N)C(=O)O

DOS

IR

Vibrations