Geometry & MOs

Info

ID:	220261
PubChem CID:	85177177
Reduced:	OC16H30 (1)
Stoich.:	AB16C30 (1)
Weight, g/mol:	238.050905
ΔH_f, kcal/mol:	-63.35
Dipole, Da:	1.96
IP(EA), eV:	-10.29(1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CCCCCCCCCC#C)O

DOS

IR

Vibrations