Geometry & MOs

Info

ID:	333377
PubChem CID:	127251929
Reduced:	FO2N5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	443.199111
ΔH_f, kcal/mol:	-79.2
Dipole, Da:	9.55
IP(EA), eV:	-9.11(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCNC2)C3CCN(C3)C(=O)C4(CCOCC4)C5=CC=CC=C5F

DOS

IR

Vibrations