Geometry & MOs

Info

ID:	51661
PubChem CID:	12014368
Reduced:	NOH21C23 (1)
Stoich.:	ABC21D23 (1)
Weight, g/mol:	433.240565
ΔH_f, kcal/mol:	48.91
Dipole, Da:	3.27
IP(EA), eV:	-9.2(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations