Geometry & MOs

Info

ID:	367681
PubChem CID:	127325389
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	2.05
IP(EA), eV:	-9.01(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)NC3CCN(CC3)CC=C

DOS

IR

Vibrations