Geometry & MOs

Info

ID:	176339
PubChem CID:	76035122
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-103.37
Dipole, Da:	2.25
IP(EA), eV:	-8.48(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-quinolin-7-yloxypyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)C2=NC=CC(=C2)OC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations