Geometry & MOs

Info

ID:	401014
PubChem CID:	135049783
Reduced:	N3C20H29 (1)
Stoich.:	A3B20C29 (1)
Weight, g/mol:	327.267448
ΔH_f, kcal/mol:	79.96
Dipole, Da:	3.64
IP(EA), eV:	-8.91(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-azido-2,3-ditert-butylcycloprop-2-en-1-yl)adamantane

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2(C(=C2C(C)(C)C)C(C)(C)C)N=[N+]=[N-])C

DOS

IR

Vibrations