Geometry & MOs

Info

ID:	378313
PubChem CID:	134224390
Reduced:	ClO3N6H23C24 (1)
Stoich.:	AB3C6D23E24 (1)
Weight, g/mol:	175.1361
ΔH_f, kcal/mol:	-25.62
Dipole, Da:	5.49
IP(EA), eV:	-8.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-4,7-dimethyl-6-methylidene-8-azatricyclo[5.3.0.02,5]dec-9-ene

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations