Geometry & MOs

Info

ID:	438270
PubChem CID:	135227998
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	122.89
Dipole, Da:	6.7
IP(EA), eV:	-8.69(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-5-[4-(ethylideneamino)-3-propan-2-ylphenyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC(=C(C1=CC(=C(C=C1)[N+](=O)[O-])NC(C2=CC=CC=N2)C3=CC=CC=N3)N(C)N=C)C

DOS

IR

Vibrations