Geometry & MOs

Info

ID:	28551
PubChem CID:	828313
Reduced:	N2O2H16C21 (1)
Stoich.:	A2B2C16D21 (1)
Weight, g/mol:	306.11907
ΔH_f, kcal/mol:	3.4
Dipole, Da:	4.18
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4O

DOS

IR

Vibrations