Geometry & MOs

Info

ID:	333366
PubChem CID:	127251918
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	6.58
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CCN(C3)C4CCOCC4)C(=N2)NC

DOS

IR

Vibrations