Geometry & MOs

Info

ID:	17488
PubChem CID:	501059
Reduced:	NOC15H20 (2)
Stoich.:	ABC15D20 (2)
Weight, g/mol:	460.308979
ΔH_f, kcal/mol:	-51.1
Dipole, Da:	6.33
IP(EA), eV:	-8.87(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-cyclopropyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC1[C@H](C(=O)O)N2C[C@@H]([C@H](C2)C3=CC=CC=C3)CN4CCC(CC4)CCCC5=CC=CC=C5

DOS

IR

Vibrations