Geometry & MOs

Info

ID:	12182
PubChem CID:	131912
Reduced:	O3N4H14C17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	322.10659
ΔH_f, kcal/mol:	56.74
Dipole, Da:	9.23
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-ylidene]cyanamide

Drug info:

PubChemData

Smile

CC1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C=CC=CC3=NC#N)C

DOS

IR

Vibrations