Geometry & MOs

Info

ID:	333316
PubChem CID:	127251868
Reduced:	FON6C24H29 (1)
Stoich.:	ABC6D24E29 (1)
Weight, g/mol:	448.29506
ΔH_f, kcal/mol:	-24.95
Dipole, Da:	6.59
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(methylamino)-6-[(2-piperidin-1-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC4=CN(C5=C4C=C(C=C5)F)C)C(=N2)NC

DOS

IR

Vibrations