Geometry & MOs

Info

ID:	367994
PubChem CID:	127326376
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	359.243359
ΔH_f, kcal/mol:	-30.91
Dipole, Da:	2.27
IP(EA), eV:	-8.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-propylpyrazol-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)NN2C)C)CNC(=O)NC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations