Geometry & MOs

Info

ID:	168937
PubChem CID:	75043176
Reduced:	ClO2N8C24H35 (1)
Stoich.:	AB2C8D24E35 (1)
Weight, g/mol:	389.171497
ΔH_f, kcal/mol:	-40.49
Dipole, Da:	7.44
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-(trifluoromethyl)phenyl]methylamino]butylamino]-4aH-quinolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)CCCCCNC2=NC(=NC(=C2)C)N=C(N)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations