Geometry & MOs

Info

ID:	246041
PubChem CID:	103036894
Reduced:	ClNOC17H26 (1)
Stoich.:	ABCD17E26 (1)
Weight, g/mol:	254.210661
ΔH_f, kcal/mol:	-42.1
Dipole, Da:	4.17
IP(EA), eV:	-8.96(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-methoxy-3-methylbutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC(C)(CCC(CNC1CC1)C2=CC=C(C=C2)Cl)OC

DOS

IR

Vibrations