Geometry & MOs

Info

ID:	173516
PubChem CID:	75647750
Reduced:	N2O5C18H20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	330.160637
ΔH_f, kcal/mol:	-169.71
Dipole, Da:	6.28
IP(EA), eV:	-9.92(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-3-naphthalen-1-yl-3,4,5,6,7,8-hexahydropyrazolo[5,1-b]quinazolin-10-ium-9-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC(=O)NCC=C)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations