Geometry & MOs

Info

ID:	218135
PubChem CID:	85088928
Reduced:	Cl3N7C17H24 (1)
Stoich.:	A3B7C17D24 (1)
Weight, g/mol:	395.139199
ΔH_f, kcal/mol:	13.52
Dipole, Da:	4.9
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-2-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]guanidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations