Geometry & MOs

Info

ID:	351381
PubChem CID:	127280269
Reduced:	S2N3O3C17H27 (1)
Stoich.:	A2B3C3D17E27 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	-101.97
Dipole, Da:	7.16
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)C2CCCCN2S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations