Geometry & MOs

Info

ID:	355669
PubChem CID:	127289634
Reduced:	O3N5C20H35 (1)
Stoich.:	A3B5C20D35 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-143.91
Dipole, Da:	7.2
IP(EA), eV:	-8.72(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-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)C3CCN(C(=O)C3)C

DOS

IR

Vibrations