Geometry & MOs

Info

ID:	404311
PubChem CID:	135065785
Reduced:	ON2F3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	254.178299
ΔH_f, kcal/mol:	-86.72
Dipole, Da:	6.37
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-benzylspiro[adamantane-2,3'-diaziridine]

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)CC(=C)CC=C)C3=CC=CC=C3

DOS

IR

Vibrations