Geometry & MOs

Info

ID:	287056
PubChem CID:	104231735
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	4.56
IP(EA), eV:	-9.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CCC1=NN(C(=N1)CC)C2=C(C(=CC=C2)OC)[C@@H](C)O

DOS

IR

Vibrations