Geometry & MOs

Info

ID:	188583
PubChem CID:	77738189
Reduced:	ClNOC9H13 (2)
Stoich.:	ABCD9E13 (2)
Weight, g/mol:	393.156264
ΔH_f, kcal/mol:	-120.86
Dipole, Da:	1.93
IP(EA), eV:	-8.74(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-(4-fluorophenyl)ethenyl]thiophen-2-yl]-(1-methyl-3-phenylpyrrolidin-2-yl)methanol

Drug info:

PubChemData

Smile

CC1CCCC(C1)(C2=CN=C3C=C(C(=CC3=C2)OC)OC)N.Cl.Cl

DOS

IR

Vibrations