Geometry & MOs

Info

ID:	333279
PubChem CID:	127251831
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-93.24
Dipole, Da:	6.96
IP(EA), eV:	-8.43(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)COC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations