Geometry & MOs

Info

ID:	393870
PubChem CID:	135021846
Reduced:	OS2N3C31H35 (1)
Stoich.:	AB2C3D31E35 (1)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	37.02
Dipole, Da:	1.89
IP(EA), eV:	-8.93(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(dimethylamino)-2-(1-nitronaphthalen-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=CC(=NC(=C1)C2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations