Geometry & MOs

Info

ID:	333258
PubChem CID:	127251807
Reduced:	SO3N6C18H30 (1)
Stoich.:	AB3C6D18E30 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	-109.1
Dipole, Da:	5.67
IP(EA), eV:	-9.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)C(=O)C)NC

DOS

IR

Vibrations