Geometry & MOs

Info

ID:	141968
PubChem CID:	52959563
Reduced:	ON7C18H29 (1)
Stoich.:	AB7C18D29 (1)
Weight, g/mol:	368.257612
ΔH_f, kcal/mol:	-10.76
Dipole, Da:	6.98
IP(EA), eV:	-8.7(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(8-methyl-1-propyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydropyrazolo[3,4-b]quinolin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2=NC(NC(N2)CN3CCC(CC3)C(=O)N)N)C

DOS

IR

Vibrations