Geometry & MOs

Info

ID:	234655
PubChem CID:	92303246
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-56.55
Dipole, Da:	10.09
IP(EA), eV:	-8.35(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-2-ethylbutylideneamino]acetamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=S)N/N=C/2\C3CCCC4C3C(C2=O)CCC4

DOS

IR

Vibrations