Geometry & MOs

Info

ID:	250250
PubChem CID:	103095153
Reduced:	ClSN2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	270.055991
ΔH_f, kcal/mol:	67.93
Dipole, Da:	5.47
IP(EA), eV:	-8.75(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-14-methoxy-2,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaene

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CN=C3N2C=CC=C3Cl

DOS

IR

Vibrations