Geometry & MOs

Info

ID:	271357
PubChem CID:	103667735
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	4.31
IP(EA), eV:	-8.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-pent-3-enyl]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)[C@@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations