Geometry & MOs

Info

ID:	333346
PubChem CID:	127251898
Reduced:	SO3N5C16H25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-104.49
Dipole, Da:	7.09
IP(EA), eV:	-9.25(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC2=C(C1)N=C(N=C2NC)C3CCN(C3)C(=O)C

DOS

IR

Vibrations