Geometry & MOs

Info

ID:	130090
PubChem CID:	51074906
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	283.054611
ΔH_f, kcal/mol:	-152.66
Dipole, Da:	6.12
IP(EA), eV:	-8.65(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)C(=O)NC2CCN(CC2)C(=O)OCC)C

DOS

IR

Vibrations