Geometry & MOs

Info

ID:	303861
PubChem CID:	124490295
Reduced:	BrON2C23H23 (1)
Stoich.:	ABC2D23E23 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	38.15
Dipole, Da:	4.59
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[hydroxy(diphenyl)methyl]triazol-2-yl]-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1COCCC1CC[C@@]2(C3=CC=CC=C3C4=NC=CN42)C5=CC=C(C=C5)Br

DOS

IR

Vibrations