Geometry & MOs

Info

ID:	150482
PubChem CID:	53790173
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	311.059217
ΔH_f, kcal/mol:	67.98
Dipole, Da:	1.76
IP(EA), eV:	-8.06(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hex-3-en-2-ol

Drug info:

PubChemData

Smile

C=CCC1=C(C=CC2=CC=CC=C21)NCC=C

DOS

IR

Vibrations