Geometry & MOs

Info

ID:	145198
PubChem CID:	53476898
Reduced:	OCl2N5H11C18 (1)
Stoich.:	AB2C5D11E18 (1)
Weight, g/mol:	354.159295
ΔH_f, kcal/mol:	74.98
Dipole, Da:	10.62
IP(EA), eV:	-8.94(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,6,8,10,12,15,17-octaen-3-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C2=NC3=C(N2)C=CN=C3NC4=C(C=NC=C4)C=O)Cl

DOS

IR

Vibrations