Geometry & MOs

Info

ID:	141964
PubChem CID:	52959546
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-47.61
Dipole, Da:	1.43
IP(EA), eV:	-8.24(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2C(CC3CCCCC3N2)C(=N1)NC(=O)COC4=CC=CC=C4

DOS

IR

Vibrations