Geometry & MOs

Info

ID:	282678
PubChem CID:	103936077
Reduced:	ClFNOC15H19 (1)
Stoich.:	ABCDE15F19 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	3.06
IP(EA), eV:	-8.79(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexan-3-yl-4-(1,2,4-triazol-1-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC1(C(C2C1OCCC2)NC3=CC(=CC(=C3)Cl)F)C

DOS

IR

Vibrations