Geometry & MOs

Info

ID:	322369
PubChem CID:	126669930
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	390.193487
ΔH_f, kcal/mol:	-79.35
Dipole, Da:	1.74
IP(EA), eV:	-9.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine

Drug info:

PubChemData

Smile

C1C(NC(CO1)O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations