Geometry & MOs

Info

ID:	178398
PubChem CID:	76322635
Reduced:	BrCl2O4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	343.129632
ΔH_f, kcal/mol:	-110.99
Dipole, Da:	6.07
IP(EA), eV:	-9.4(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-phenyl-4-(trifluoromethyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)O)Br)OC

DOS

IR

Vibrations