Geometry & MOs

Info

ID:	438023
PubChem CID:	135227536
Reduced:	SN4O7C11H18 (1)
Stoich.:	AB4C7D11E18 (1)
Weight, g/mol:	311.1674
ΔH_f, kcal/mol:	-234.55
Dipole, Da:	6.77
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,10Z)-N-methyl-N-phenyl-8,9-dihydrocycloocta[b]naphthalen-5-amine

Drug info:

PubChemData

Smile

CCN(C(=O)C)NC(=O)[C@H]1CCC2CN1C(=O)N2OS(=O)(=O)O

DOS

IR

Vibrations