Geometry & MOs

Info

ID:	209536
PubChem CID:	80685308
Reduced:	FO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-141.05
Dipole, Da:	2.04
IP(EA), eV:	-9.28(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-(4-propoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(C2(CCCCO2)C)O

DOS

IR

Vibrations