Geometry & MOs

Info

ID:	43276
PubChem CID:	10320587
Reduced:	NOC6H6 (4)
Stoich.:	ABC6D6 (4)
Weight, g/mol:	432.302831
ΔH_f, kcal/mol:	-92.09
Dipole, Da:	5.38
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrobenzo[h]chromen-6-ol

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CC=C3C(=O)O2)C(=O)NC4=CN=C(N4)C5=CC=CC(=C5)CCO

DOS

IR

Vibrations