Geometry & MOs

Info

ID:	333314
PubChem CID:	127251866
Reduced:	SO3N5C22H29 (1)
Stoich.:	AB3C5D22E29 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-93.76
Dipole, Da:	9.1
IP(EA), eV:	-8.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC)C

DOS

IR

Vibrations