Geometry & MOs

Info

ID:	350254
PubChem CID:	127277332
Reduced:	ON4C18H30 (1)
Stoich.:	AB4C18D30 (1)
Weight, g/mol:	392.16306
ΔH_f, kcal/mol:	-49.63
Dipole, Da:	4.61
IP(EA), eV:	-9.11(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(C)NC(=O)N2CC3(CC2CC(C3)(C)C)C)C

DOS

IR

Vibrations