Geometry & MOs

Info

ID:	171960
PubChem CID:	75445904
Reduced:	ClNO5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	409.259009
ΔH_f, kcal/mol:	-173.21
Dipole, Da:	8.85
IP(EA), eV:	-8.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)ethyl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]benzimidazol-2-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)C(=O)NC2=CC=C(C=C2)OCCCC(=O)O

DOS

IR

Vibrations