Geometry & MOs

Info

ID:	173053
PubChem CID:	75589970
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	343.262363
ΔH_f, kcal/mol:	-117.31
Dipole, Da:	7.2
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1CC2CN(CC2(C1)C(=O)O)C(=O)CN3C=CC(=O)C4=CC=CC=C43

DOS

IR

Vibrations