Geometry & MOs

Info

ID:	332076
PubChem CID:	127250362
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	6.57
Dipole, Da:	5.18
IP(EA), eV:	-8.09(-0.73)
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-[5-(3-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)CCC(=O)N3CCOC(C3)C4=NC=C(C=C4)C5=CN=C(N=C5)N

DOS

IR

Vibrations