Geometry & MOs

Info

ID:	449653
PubChem CID:	135300348
Reduced:	O2N5C25H25 (1)
Stoich.:	A2B5C25D25 (1)
Weight, g/mol:	318.148061
ΔH_f, kcal/mol:	-0.06
Dipole, Da:	4.0
IP(EA), eV:	-8.76(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C3=CN=C4C=CC(=CC4=N3)C(=O)N5CCCCC5)C(=O)NC

DOS

IR

Vibrations