Geometry & MOs

Info

ID:	276132
PubChem CID:	103820829
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-134.31
Dipole, Da:	3.84
IP(EA), eV:	-8.95(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2CCCC3=C2C=CO3

DOS

IR

Vibrations