Geometry & MOs

Info

ID:	331828
PubChem CID:	127250114
Reduced:	FO2N5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	5.37
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-benzylpyridin-2-yl)morpholin-4-yl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NCCC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations