Geometry & MOs

Info

ID:	347187
PubChem CID:	127271728
Reduced:	OSN5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	-2.73
Dipole, Da:	6.11
IP(EA), eV:	-8.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CC(=O)NC2=CN=C(C=C2)N3CCN(CC3)C

DOS

IR

Vibrations