Geometry & MOs

Info

ID:	180829
PubChem CID:	76691712
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	367.187147
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	4.63
IP(EA), eV:	-8.64(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(trifluoromethyl)anilino]-2,3,4,4a,5,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c][1,8]naphthyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC2=CC3=CC=NC(=O)C3C(=N2)NC(C)(C)CO

DOS

IR

Vibrations