Geometry & MOs

Info

ID:	417026
PubChem CID:	135091117
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	360.167163
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	2.04
IP(EA), eV:	-9.02(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CCC1=NC=CC(=N1)CN2CC[C@]3(CCCN([C@@H]3C2)CC4=CC(=CC=C4)O)CO

DOS

IR

Vibrations