Geometry & MOs

Info

ID:	408064
PubChem CID:	135080819
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	-60.33
Dipole, Da:	3.7
IP(EA), eV:	-9.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-ethyl-4-oxo-4-pyrrol-1-ylbutanenitrile

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC=CC=C1)/O)/C(=O)N

DOS

IR

Vibrations