Geometry & MOs

Info

ID:	408235
PubChem CID:	135080997
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	212.131349
ΔH_f, kcal/mol:	-85.42
Dipole, Da:	5.92
IP(EA), eV:	-9.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-N-(2-phenylethyl)but-2-enimidoyl cyanide

Drug info:

PubChemData

Smile

CC(C)[C@H](C=O)[C@H](C[N+](=O)[O-])C(C)(C)C

DOS

IR

Vibrations