Geometry & MOs

Info

ID:	159030
PubChem CID:	57244598
Reduced:	OC18H34 (1)
Stoich.:	AB18C34 (1)
Weight, g/mol:	398.967758
ΔH_f, kcal/mol:	-88.48
Dipole, Da:	3.71
IP(EA), eV:	-9.82(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCCCCCCC(=CCCCCCCC)C=O

DOS

IR

Vibrations