Geometry & MOs

Info

ID:	390410
PubChem CID:	134999040
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	447.183444
ΔH_f, kcal/mol:	67.71
Dipole, Da:	4.42
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(4-methoxyphenyl)-6-trityl-3-oxa-6-azabicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2([C@H](N2C3=CC=CC=C3)C4=CC=CC=N4)CC=C)C

DOS

IR

Vibrations