Geometry & MOs

Info

ID:	223981
PubChem CID:	85336543
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	416.165997
ΔH_f, kcal/mol:	21.91
Dipole, Da:	9.1
IP(EA), eV:	-8.56(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[1-(3,5-difluorophenyl)ethoxy]-3-phenylmorpholin-4-yl]methyl]-3,4-dihydro-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CNC(=O)N1CCC(C1)NCC2=CC3=C(C=C2)NC(=C3)C4C=C5C=CC=CC5=NC4=O

DOS

IR

Vibrations