Geometry & MOs

Info

ID:	136244
PubChem CID:	52006572
Reduced:	OSN4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-11.1
Dipole, Da:	1.96
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-1,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC)C(=O)NCCN(C)C

DOS

IR

Vibrations