Geometry & MOs

Info

ID:	404942
PubChem CID:	135071837
Reduced:	Cl2N2H14C21 (1)
Stoich.:	A2B2C14D21 (1)
Weight, g/mol:	404.11923
ΔH_f, kcal/mol:	88.01
Dipole, Da:	2.82
IP(EA), eV:	-9.23(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;3,11-dimethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene;palladium(2+)

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations