Geometry & MOs

Info

ID:	149234
PubChem CID:	53788906
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	454.236876
ΔH_f, kcal/mol:	-30.43
Dipole, Da:	4.62
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-hydroxy-3,9-bis(4-methylpiperazin-1-yl)benzo[a]phenalen-6-ylidene]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC2=CN=C(C=C2)C(=O)N

DOS

IR

Vibrations