Geometry & MOs

Info

ID:	333353
PubChem CID:	127251905
Reduced:	SO3N6C18H30 (1)
Stoich.:	AB3C6D18E30 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	8.08
IP(EA), eV:	-9.26(-0.5)
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]-3-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCC2=C(C1)N=C(N=C2NC)C3CCN(C3)C(=O)C

DOS

IR

Vibrations