Geometry & MOs

Info

ID:	126105
PubChem CID:	50951896
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-75.34
Dipole, Da:	4.95
IP(EA), eV:	-9.4(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[5-(oxan-4-yl)-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine

Drug info:

PubChemData

Smile

CC(C)CN(CC1=CC=CC=N1)C(=O)CCOC

DOS

IR

Vibrations