Geometry & MOs

Info

ID:	249692
PubChem CID:	103091395
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	-53.35
Dipole, Da:	3.37
IP(EA), eV:	-8.25(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OC)/C=C/C(C)N

DOS

IR

Vibrations