Geometry & MOs

Info

ID:	164288
PubChem CID:	74382715
Reduced:	O2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	24.12
Dipole, Da:	7.32
IP(EA), eV:	-9.15(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methyl-4-oxo-3aH-pyrazolo[4,3-c]quinolin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C(=CC2=NC=CN2)C#N

DOS

IR

Vibrations