Geometry & MOs

Info

ID:	160267
PubChem CID:	57309613
Reduced:	N3O5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	303.101751
ΔH_f, kcal/mol:	-190.26
Dipole, Da:	6.31
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-2-(2-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CNCCC1CCC2=C[C@]3(CC(=O)N(C3=O)CCCC(=O)O)ON2

DOS

IR

Vibrations