Geometry & MOs

Info

ID:	27737
PubChem CID:	823344
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	287.224915
ΔH_f, kcal/mol:	-43.52
Dipole, Da:	2.95
IP(EA), eV:	-9.22(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1(CC[C@](CO1)(CN)C2=CC=CC=C2)C

DOS

IR

Vibrations