Geometry & MOs

Info

ID:	331955
PubChem CID:	127250241
Reduced:	ClFO2N3H21C25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-42.97
Dipole, Da:	4.73
IP(EA), eV:	-9.0(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-benzylpyridin-2-yl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC3=C(N2)C=C(C=C3)F)C4=NC=C(C=C4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations