Geometry & MOs

Info

ID:	19517
PubChem CID:	566658
Reduced:	Cl2N7C19H25 (1)
Stoich.:	A2B7C19D25 (1)
Weight, g/mol:	421.154849
ΔH_f, kcal/mol:	46.31
Dipole, Da:	4.37
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-2-[4-methyl-6-(2-piperidin-1-ylethylamino)pyrimidin-2-yl]guanidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N=C(N)NC2=CC(=C(C=C2)Cl)Cl)NCCN3CCCCC3

DOS

IR

Vibrations