Geometry & MOs

Info

ID:	416112
PubChem CID:	135089120
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	320.124881
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	3.79
IP(EA), eV:	-8.69(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1-methylimidazol-2-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N2CCN(CC2)C3=CC(=NC=C3)C

DOS

IR

Vibrations