Geometry & MOs

Info

ID:	123141
PubChem CID:	50834958
Reduced:	O2N5C28H33 (1)
Stoich.:	A2B5C28D33 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-19.15
Dipole, Da:	6.67
IP(EA), eV:	-8.82(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)methylsulfanyl]-6-(2-methoxyethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N(CC2=NN(C3=C2CN(CC3)C(=O)NC4CCCC4)C)C5=CC=CC=C5

DOS

IR

Vibrations