Geometry & MOs

Info

ID:	336575
PubChem CID:	127255582
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	266.082205
ΔH_f, kcal/mol:	-14.23
Dipole, Da:	3.67
IP(EA), eV:	-8.23(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,4S)-4-(3-cyanophenyl)pyrrolidine-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC1C[C@H](C=C2[C@@H]1CC3=CNC4=CC=CC2=C34)CO

DOS

IR

Vibrations