Geometry & MOs

Info

ID:	13671
PubChem CID:	396837
Reduced:	NO2H21C22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	331.157229
ΔH_f, kcal/mol:	-20.15
Dipole, Da:	4.26
IP(EA), eV:	-8.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-6-(4-methylphenyl)imino-3,4-dihydrobenzo[h]chromen-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=C(C2=O)CCC(O4)(C)C

DOS

IR

Vibrations