Geometry & MOs

Info

ID:	84353
PubChem CID:	49865958
Reduced:	O7C35H46 (1)
Stoich.:	A7B35C46 (1)
Weight, g/mol:	443.330048
ΔH_f, kcal/mol:	-302.04
Dipole, Da:	5.15
IP(EA), eV:	-9.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-diphenyl-4-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)bicyclo[2.2.2]octan-2-amine

Drug info:

PubChemData

Smile

CC1=C2[C@H](C[C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)OC(=O)CCCCC4=CC=CC=C4)C)OC(=O)C

DOS

IR

Vibrations