Geometry & MOs

Info

ID:	262234
PubChem CID:	103278341
Reduced:	BrON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	322.075202
ΔH_f, kcal/mol:	48.14
Dipole, Da:	1.96
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]piperidin-3-amine

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC=CC(=N2)C3=CC=C(O3)Br

DOS

IR

Vibrations