Geometry & MOs

Info

ID:	331769
PubChem CID:	127250053
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	2.27
IP(EA), eV:	-8.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC(=O)N1CCOC(C1)C2=CC=CC(=N2)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations