Geometry & MOs

Info

ID:	52756
PubChem CID:	12015865
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	12.12
Dipole, Da:	1.67
IP(EA), eV:	-9.17(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-[1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

C[C@H](C#C)[C@H](CCCO)NCC1=CC=CC=C1

DOS

IR

Vibrations