Geometry & MOs

Info

ID:	156728
PubChem CID:	56371935
Reduced:	OS2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	430.284495
ΔH_f, kcal/mol:	-0.05
Dipole, Da:	5.46
IP(EA), eV:	-8.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylpiperazin-1-yl)pyridin-3-yl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(C)SC4=NN=C(N4C)C(C)C

DOS

IR

Vibrations