Geometry & MOs

Info

ID:	324445
PubChem CID:	126677682
Reduced:	SF3O4N6H29C30 (1)
Stoich.:	AB3C4D6E29F30 (1)
Weight, g/mol:	165.090212
ΔH_f, kcal/mol:	-204.65
Dipole, Da:	2.78
IP(EA), eV:	-8.6(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylpyrazol-3-yl)but-3-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C)N\2C(=O)CS/C2=N\C(NC3=CC=C(C=C3)CCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)O

DOS

IR

Vibrations