Geometry & MOs

Info

ID:	50710
PubChem CID:	12013289
Reduced:	ClNH8C13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	322.077599
ΔH_f, kcal/mol:	221.12
Dipole, Da:	6.91
IP(EA), eV:	-8.32(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-phenylethynyl)cyclohepta[b]pyrrol-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=C3C=CC=CC4=C3N2C(=C4)Cl)C5=CC=CC=C6C5=NC(=C6)Cl

DOS

IR

Vibrations