Geometry & MOs

Info

ID:	59351
PubChem CID:	24825557
Reduced:	FSN4O4C18H21 (1)
Stoich.:	ABC4D4E18F21 (1)
Weight, g/mol:	404.268845
ΔH_f, kcal/mol:	-146.52
Dipole, Da:	11.07
IP(EA), eV:	-8.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

Drug info:

PubChemData

Smile

CN1CCS(=O)CC1C2=N/C(=C(\NCC3=CC=C(C=C3)F)/O)/C(=O)C(=O)N2C

DOS

IR

Vibrations