Geometry & MOs

Info

ID:	66218
PubChem CID:	46500447
Reduced:	N4O5H18C24 (1)
Stoich.:	A4B5C18D24 (1)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	-9.24
Dipole, Da:	2.21
IP(EA), eV:	-9.21(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enylidene]amino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2C3=CC=CC=C3)C(=O)N/N=C/C4=CC=CC=C4C(=O)O

DOS

IR

Vibrations