Geometry & MOs

Info

ID:	59662
PubChem CID:	24892393
Reduced:	N4O4C27H30 (1)
Stoich.:	A4B4C27D30 (1)
Weight, g/mol:	561.175452
ΔH_f, kcal/mol:	-80.04
Dipole, Da:	5.28
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-5-[(4-chlorophenyl)methyl]-4-piperidin-1-yl-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(=O)C3=CN(C4=CC=CC=C43)CC(=O)N5CCCC5

DOS

IR

Vibrations