Geometry & MOs

Info

ID:	282792
PubChem CID:	103939161
Reduced:	ClNO2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	250.088832
ΔH_f, kcal/mol:	-50.35
Dipole, Da:	3.61
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)OC2=C(C=CC(=C2)C)Cl)O

DOS

IR

Vibrations