Geometry & MOs

Info

ID:	265634
PubChem CID:	103535150
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	312.087685
ΔH_f, kcal/mol:	-142.68
Dipole, Da:	6.53
IP(EA), eV:	-9.29(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[[2-(3-methoxypyrrolidin-1-yl)acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

COC1CCN(C1)CCOC2=CC=CC(=C2)C(=O)O

DOS

IR

Vibrations