Geometry & MOs

Info

ID:	44450
PubChem CID:	10503621
Reduced:	N6O7C19H24 (1)
Stoich.:	A6B7C19D24 (1)
Weight, g/mol:	448.172225
ΔH_f, kcal/mol:	-253.73
Dipole, Da:	12.44
IP(EA), eV:	-9.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2R,3S)-3-phenyl-2-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CN=C(N)NC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(C(=O)[C@@H]2CC(=O)O)CC(=O)O

DOS

IR

Vibrations