Geometry & MOs

Info

ID:	249884
PubChem CID:	103092674
Reduced:	FNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	193.157898
ΔH_f, kcal/mol:	-65.29
Dipole, Da:	2.01
IP(EA), eV:	-8.67(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(1-methylpyrazol-4-yl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(C=C1)OC)F

DOS

IR

Vibrations