Geometry & MOs

Info

ID:	426007
PubChem CID:	135134772
Reduced:	ClN7C21H24 (1)
Stoich.:	AB7C21D24 (1)
Weight, g/mol:	395.126136
ΔH_f, kcal/mol:	121.82
Dipole, Da:	3.8
IP(EA), eV:	-8.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[9-(3-chloropyridin-4-yl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaen-13-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C2C(=NC3=CC(=NC=C3C(=N2)C4=CC=CC=C4Cl)N(C)CCN(C)C)NN1

DOS

IR

Vibrations