Geometry & MOs

Info

ID:	216803
PubChem CID:	85086799
Reduced:	NOC21H21 (1)
Stoich.:	ABC21D21 (1)
Weight, g/mol:	303.038771
ΔH_f, kcal/mol:	25.63
Dipole, Da:	2.95
IP(EA), eV:	-9.02(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(4H-thieno[3,2-c][1]benzothiepin-10-ylidenemethyl)carbamate

Drug info:

PubChemData

Smile

C1CN2CCC1C(=O)C2C(=CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations