Geometry & MOs

Info

ID:	411011
PubChem CID:	135083816
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	7.03
Dipole, Da:	2.06
IP(EA), eV:	-9.3(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(butylamino)-2-phenylbut-2-enenitrile

Drug info:

PubChemData

Smile

CCCCC(=NC(C)C)C1=CC=CC=C1

DOS

IR

Vibrations