Geometry & MOs

Info

ID:	144171
PubChem CID:	53326694
Reduced:	O3N4H24C28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	4.55
IP(EA), eV:	-8.97(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NC4=NC5=CC=CC=C5C=C4)C)CCC(=O)O

DOS

IR

Vibrations