Geometry & MOs

Info

ID:	367911
PubChem CID:	127326084
Reduced:	FO2N5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-72.83
Dipole, Da:	2.75
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-1-phenylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CN(CCO2)C3CCCN(C3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations