Geometry & MOs

Info

ID:	74666
PubChem CID:	48422265
Reduced:	NSO4C12H21 (1)
Stoich.:	ABC4D12E21 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-166.49
Dipole, Da:	5.35
IP(EA), eV:	-9.83(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpyrazol-4-yl)methyl]-2-(cyclopropylmethoxy)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OCC2CC2

DOS

IR

Vibrations