Geometry & MOs

Info

ID:	372756
PubChem CID:	131304030
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	3.87
IP(EA), eV:	-9.86(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[(2R)-pyrrolidin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@](C)(CO)N)[N+](=O)[O-]

DOS

IR

Vibrations