Geometry & MOs

Info

ID:	413601
PubChem CID:	135086550
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-126.63
Dipole, Da:	2.14
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hexyltriazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C(=O)C(C(=O)OC)OC

DOS

IR

Vibrations