Geometry & MOs

Info

ID:	333457
PubChem CID:	127252009
Reduced:	N6C25H26 (1)
Stoich.:	A6B25C26 (1)
Weight, g/mol:	410.221895
ΔH_f, kcal/mol:	111.76
Dipole, Da:	0.6
IP(EA), eV:	-8.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[5-[1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyridin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=NC=C(C=C2)C3CCCCN3CC4=CC5=NC=CN=C5C=C4

DOS

IR

Vibrations