Geometry & MOs

Info

ID:	249909
PubChem CID:	103092805
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	207.173548
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	4.23
IP(EA), eV:	-8.41(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations