Geometry & MOs

Info

ID:	346793
PubChem CID:	127271297
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	394.294391
ΔH_f, kcal/mol:	-100.76
Dipole, Da:	7.91
IP(EA), eV:	-9.24(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(oxolan-2-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations