Geometry & MOs

Info

ID:	333247
PubChem CID:	127251796
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	-57.0
Dipole, Da:	6.96
IP(EA), eV:	-8.78(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations