Geometry & MOs

Info

ID:	216144
PubChem CID:	85085793
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-33.58
Dipole, Da:	2.58
IP(EA), eV:	-8.77(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1COCC2C1CON2CC3=CC=CC=C3

DOS

IR

Vibrations