Geometry & MOs

Info

ID:	58643
PubChem CID:	24712385
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	316.105922
ΔH_f, kcal/mol:	-49.56
Dipole, Da:	6.95
IP(EA), eV:	-9.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]methyl]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC2=NC(=CO2)C(=O)O)C3CC3

DOS

IR

Vibrations