Geometry & MOs

Info

ID:	74171
PubChem CID:	48421543
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	397.259009
ΔH_f, kcal/mol:	-109.53
Dipole, Da:	6.3
IP(EA), eV:	-8.45(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpiperazin-1-yl)ethyl]-N-(2-pyrazol-1-ylpyridin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)N3CCC(CC3)CCN4CCN(CC4)C

DOS

IR

Vibrations