Geometry & MOs

Info

ID:	346257
PubChem CID:	127270761
Reduced:	NOC4H6 (4)
Stoich.:	ABC4D6 (4)
Weight, g/mol:	384.198383
ΔH_f, kcal/mol:	-185.7
Dipole, Da:	5.6
IP(EA), eV:	-9.53(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCNC1=O)N2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations