Geometry & MOs

Info

ID:	17351
PubChem CID:	493819
Reduced:	ON2C29H32 (1)
Stoich.:	AB2C29D32 (1)
Weight, g/mol:	424.251464
ΔH_f, kcal/mol:	25.32
Dipole, Da:	5.13
IP(EA), eV:	-8.77(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[(3R,4R)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)C[C@@H]3CN(C[C@H]3C4=CC=CC=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations