Geometry & MOs

Info

ID:	398030
PubChem CID:	135031447
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-85.04
Dipole, Da:	2.22
IP(EA), eV:	-9.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aR,7S,7aR)-1-methyl-7-phenyl-3,3a,4,5,6,7a-hexahydro-2,1-benzoxazole-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(CCCC=C)(C=O)C1=CC=CC=C1

DOS

IR

Vibrations