Geometry & MOs

Info

ID:	48618
PubChem CID:	11110050
Reduced:	N5C19H23 (1)
Stoich.:	A5B19C23 (1)
Weight, g/mol:	321.118735
ΔH_f, kcal/mol:	73.02
Dipole, Da:	8.68
IP(EA), eV:	-8.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone

Drug info:

PubChemData

Smile

CN1C(CC2C1CNC2)CC3=CNC4=C3C=C(C=C4)N5C=CN=C5

DOS

IR

Vibrations