Geometry & MOs

Info

ID:	16834
PubChem CID:	477220
Reduced:	Cl2N7C19H23 (1)
Stoich.:	A2B7C19D23 (1)
Weight, g/mol:	419.139199
ΔH_f, kcal/mol:	49.86
Dipole, Da:	9.72
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-6-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=NC3=CC(=C(C=C3N2)Cl)Cl)NCC4CCCCN4C

DOS

IR

Vibrations