Geometry & MOs

Info

ID:	249899
PubChem CID:	103092756
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	2.46
IP(EA), eV:	-8.73(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations