Geometry & MOs

Info

ID:	19827
PubChem CID:	573543
Reduced:	N4Cl5C18H19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	468.002285
ΔH_f, kcal/mol:	19.87
Dipole, Da:	3.63
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)-6-(trichloromethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCN(C1)CCCNC2=NC(=CC(=N2)C(Cl)(Cl)Cl)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations