Geometry & MOs

Info

ID:	74002
PubChem CID:	48421335
Reduced:	NOC4H5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-125.76
Dipole, Da:	5.57
IP(EA), eV:	-8.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpyrazol-4-yl)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)N4CCNC4=O

DOS

IR

Vibrations