Geometry & MOs

Info

ID:	126445
PubChem CID:	50965083
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-118.76
Dipole, Da:	1.53
IP(EA), eV:	-8.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)carbamoyl]anilino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CNC(C)CO

DOS

IR

Vibrations