Geometry & MOs

Info

ID:	222422
PubChem CID:	85300646
Reduced:	O5C18H26 (1)
Stoich.:	A5B18C26 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-250.1
Dipole, Da:	7.42
IP(EA), eV:	-9.79(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl 5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C2CC(CCC(C2CCC1=O)(C)OC(=O)C)C(C)C(=O)O

DOS

IR

Vibrations