Geometry & MOs

Info

ID:	58654
PubChem CID:	24712404
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	317.153955
ΔH_f, kcal/mol:	-50.69
Dipole, Da:	4.78
IP(EA), eV:	-9.09(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=COC(=N1)CN(CC2=CC=CC(=C2)C)C(C)C

DOS

IR

Vibrations