Geometry & MOs

Info

ID:	74005
PubChem CID:	48421338
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	3.07
IP(EA), eV:	-8.59(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC2C1N(CCC2)C(=O)NC3=CC(=CC=C3)N4CCNC4=O

DOS

IR

Vibrations