Geometry & MOs

Info

ID:	130188
PubChem CID:	51075192
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-32.13
Dipole, Da:	3.06
IP(EA), eV:	-8.57(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C=CN=C2SC3CCCCNC3=O

DOS

IR

Vibrations