Geometry & MOs

Info

ID:	141959
PubChem CID:	52958530
Reduced:	O2N3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	306.241962
ΔH_f, kcal/mol:	60.18
Dipole, Da:	1.74
IP(EA), eV:	-8.51(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N=C2C3C(=NC=N2)C4=CC=CC=C4O3

DOS

IR

Vibrations