Geometry & MOs

Info

ID:	197155
PubChem CID:	78929679
Reduced:	OCl2N3H9C15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	32.84
Dipole, Da:	7.78
IP(EA), eV:	-9.12(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N=C2Cl)C(=O)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations