Geometry & MOs

Info

ID:	403574
PubChem CID:	135060900
Reduced:	NO6C38H43 (1)
Stoich.:	AB6C38D43 (1)
Weight, g/mol:	256.125201
ΔH_f, kcal/mol:	-119.78
Dipole, Da:	5.76
IP(EA), eV:	-9.11(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-phenyl-1H-cyclopenta[b]naphthalene

Drug info:

PubChemData

Smile

CCCCC[C@H]1[C@](O[C@H](O1)CCCCC)(C2=CC(=C(CC2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations