Geometry & MOs

Info

ID:	39477
PubChem CID:	8140933
Reduced:	BrClNF2O2H13C16 (1)
Stoich.:	ABCD2E2F13G16 (1)
Weight, g/mol:	398.06299
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	3.95
IP(EA), eV:	-9.25(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2=CC(=C(C=C2Cl)F)F

DOS

IR

Vibrations