Geometry & MOs

Info

ID:	381335
PubChem CID:	134972039
Reduced:	NO2C30H35 (1)
Stoich.:	AB2C30D35 (1)
Weight, g/mol:	280.14633
ΔH_f, kcal/mol:	-45.11
Dipole, Da:	4.07
IP(EA), eV:	-9.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3Z)-2-(phenylmethoxymethyl)-5,6-dihydro-2H-1-benzoxocine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CC(C(=O)OC(C)(C)C)N=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations