Geometry & MOs

Info

ID:	129933
PubChem CID:	51074309
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-99.59
Dipole, Da:	0.58
IP(EA), eV:	-9.81(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

CC(=O)NC(C1CCCC1)C(=O)NCC=C

DOS

IR

Vibrations