Geometry & MOs

Info

ID:	380184
PubChem CID:	134970537
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-67.46
Dipole, Da:	5.86
IP(EA), eV:	-9.93(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[(5S)-5-(hydroxymethyl)pyrrolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

C1[C@H]([C@@]1(C2=CC=CC=C2)C(=O)O)C(C3=CC=CC=C3)O

DOS

IR

Vibrations