Geometry & MOs

Info

ID:	333096
PubChem CID:	127251520
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	439.177503
ΔH_f, kcal/mol:	-50.48
Dipole, Da:	3.0
IP(EA), eV:	-8.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(3-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN3C(=NC(=N3)C)C)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations