Geometry & MOs

Info

ID:	364654
PubChem CID:	127315949
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	6.09
IP(EA), eV:	-8.85(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NCC2(CCOCC2)N3CCCC3)C

DOS

IR

Vibrations