Geometry & MOs

Info

ID:	449709
PubChem CID:	135300850
Reduced:	NH57C68 (1)
Stoich.:	AB57C68 (1)
Weight, g/mol:	397.18305
ΔH_f, kcal/mol:	296.43
Dipole, Da:	20.3
IP(EA), eV:	-6.18(-3.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-phenylnaphthalen-2-yl)-5,6-dihydrophenanthren-3-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=CC=C2C3C45CCCCC6CC3(CC(CC4)C7=CC=CC=C7C8=C5C(=CC=C8)N9C1=CC=CC=C1C1=C9C=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C61

DOS

IR

Vibrations