Geometry & MOs

Info

ID:	431267
PubChem CID:	135171338
Reduced:	FO2N5C24H32 (1)
Stoich.:	AB2C5D24E32 (1)
Weight, g/mol:	210.115698
ΔH_f, kcal/mol:	-71.25
Dipole, Da:	5.67
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methylidene-1,8-dihydrocyclopenta[b]naphthalene-3,6-diamine

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=C(/C(=C/C)/CO2)C#N)C(=O)C3=NC(=C(N3)C)/C=C(\C)/F

DOS

IR

Vibrations