Geometry & MOs

Info

ID:	58645
PubChem CID:	24712390
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	320.09277
ΔH_f, kcal/mol:	-58.67
Dipole, Da:	6.83
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-chlorophenyl)methyl-(cyclopropylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations