Geometry & MOs

Info

ID:	51668
PubChem CID:	12014376
Reduced:	BrNOC25H26 (1)
Stoich.:	ABCD25E26 (1)
Weight, g/mol:	433.240565
ΔH_f, kcal/mol:	6.39
Dipole, Da:	2.99
IP(EA), eV:	-9.3(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-tritylaziridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br

DOS

IR

Vibrations