Geometry & MOs

Info

ID:	439508
PubChem CID:	135229282
Reduced:	NC26H50 (2)
Stoich.:	AB26C50 (2)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-135.27
Dipole, Da:	1.99
IP(EA), eV:	-8.45(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,7a-dihydrobenzotriazol-2-yl)-6-(2-ethylhexoxymethyl)-4-methylphenol

Drug info:

PubChemData

Smile

CCCCCCCCCC(CCCCCCCC/C=C\C/C=C\CCCCC)N(CCCCCCCCC/C=C\C/C=C\CCCCC)CCCN(C)C

DOS

IR

Vibrations