Geometry & MOs

Info

ID:	16835
PubChem CID:	477230
Reduced:	OCl2N7C25H29 (1)
Stoich.:	AB2C7D25E29 (1)
Weight, g/mol:	513.181064
ΔH_f, kcal/mol:	34.5
Dipole, Da:	8.67
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[3-(diethylaminomethyl)-4-ethoxyphenyl]-6-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN(CC)CC1=C(C=CC(=C1)NC2=NC(=NC(=C2)C)NC3=NC4=CC(=C(C=C4N3)Cl)Cl)OCC

DOS

IR

Vibrations