Geometry & MOs

Info

ID:	363421
PubChem CID:	127311224
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-60.47
Dipole, Da:	7.24
IP(EA), eV:	-9.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)quinolin-6-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NCC2=CC3=CC=CC=C3N=C2)C(=O)N4CCCC4

DOS

IR

Vibrations