Geometry & MOs

Info

ID:	153166
PubChem CID:	56312315
Reduced:	ClOF2N3C20H22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	-94.07
Dipole, Da:	4.36
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=CC(=C(C=C2)F)Cl)CC3=CC=CC=C3F

DOS

IR

Vibrations