Geometry & MOs

Info

ID:	379009
PubChem CID:	134228870
Reduced:	O3N8C30H38 (1)
Stoich.:	A3B8C30D38 (1)
Weight, g/mol:	338.05013
ΔH_f, kcal/mol:	-12.21
Dipole, Da:	7.22
IP(EA), eV:	-8.27(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C(C)(C)O)C=C(C=C2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC

DOS

IR

Vibrations