Geometry & MOs

Info

ID:	165402
PubChem CID:	74545774
Reduced:	S2N3O4C20H21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	328.159849
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	4.33
IP(EA), eV:	-8.88(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CSCC2=NC(=O)C3C4=C(CCC4)SC3=N2)OC

DOS

IR

Vibrations