Geometry & MOs

Info

ID:	340542
PubChem CID:	127262553
Reduced:	ClNO2H4C6 (1)
Stoich.:	ABC2D4E6 (1)
Weight, g/mol:	358.146999
ΔH_f, kcal/mol:	-32.12
Dipole, Da:	1.26
IP(EA), eV:	-9.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,7,9,11,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C1OC2=C(C=CN=C2O1)Cl

DOS

IR

Vibrations