Geometry & MOs

Info

ID:	333330
PubChem CID:	127251882
Reduced:	SO4N5C21H27 (1)
Stoich.:	AB4C5D21E27 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	-110.1
Dipole, Da:	3.86
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)S(=O)(=O)C4=CC=CC=C4OC)C(=N2)NC

DOS

IR

Vibrations