Geometry & MOs

Info

ID:	58649
PubChem CID:	24712394
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	340.122321
ΔH_f, kcal/mol:	-121.08
Dipole, Da:	4.69
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C)N(CC1=CC(=CC=C1)OC)CC2=NC(=CO2)C(=O)O

DOS

IR

Vibrations