Geometry & MOs

Info

ID:	404208
PubChem CID:	135065395
Reduced:	PN2O4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	204.162649
ΔH_f, kcal/mol:	-105.03
Dipole, Da:	2.67
IP(EA), eV:	-8.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-prop-2-enylspiro[adamantane-2,3'-diaziridine]

Drug info:

PubChemData

Smile

C[C@]1([C@@H](N=CN1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations