Geometry & MOs

Info

ID:	355663
PubChem CID:	127289628
Reduced:	O3N6C19H30 (1)
Stoich.:	A3B6C19D30 (1)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-98.82
Dipole, Da:	2.3
IP(EA), eV:	-8.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations