Geometry & MOs

Info

ID:	339475
PubChem CID:	127261408
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	406.181191
ΔH_f, kcal/mol:	-4.1
Dipole, Da:	4.89
IP(EA), eV:	-8.4(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[4-[2-(diethylamino)ethoxy]phenyl]-3-naphthalen-2-ylprop-2-enenitrile;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C(=O)C1=CC=CC=C1)/C=C/2\NN=CN2C3=CC=CC=C3

DOS

IR

Vibrations