Geometry & MOs

Info

ID:	13672
PubChem CID:	396838
Reduced:	NO3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	347.152144
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	6.84
IP(EA), eV:	-8.51(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C3=CC=CC=C3C(=NC4=CC=C(C=C4)OC)C2=O)C

DOS

IR

Vibrations