Geometry & MOs

Info

ID:	316824
PubChem CID:	126631818
Reduced:	NH29C42 (1)
Stoich.:	AB29C42 (1)
Weight, g/mol:	135.104799
ΔH_f, kcal/mol:	174.74
Dipole, Da:	1.51
IP(EA), eV:	-8.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylcyclohexa-1,5-dien-1-yl)aziridine

Drug info:

PubChemData

Smile

CN1C2=CC=CC(=C2C3=CC4=CC=CC=C4C=C31)C5=CC6=C(C=C5)C7=CC=CC=C7C6(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations