Geometry & MOs

Info

ID:	416216
PubChem CID:	135089226
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	0.62
IP(EA), eV:	-9.71(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)CC3=CC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations