Geometry & MOs

Info

ID:	121784
PubChem CID:	50781168
Reduced:	O2N5C27H27 (1)
Stoich.:	A2B5C27D27 (1)
Weight, g/mol:	460.258674
ΔH_f, kcal/mol:	7.53
Dipole, Da:	4.88
IP(EA), eV:	-8.55(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC4=C(N=CC=C4)N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations