Geometry & MOs

Info

ID:	50061
PubChem CID:	11539102
Reduced:	FO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	424.130218
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	6.94
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-1H-benzimidazol-2-yl)-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCN/C(=C\2/C(=O)C3=C(C=C(C=N3)CC4=CC=C(C=C4)F)NC2=O)/O

DOS

IR

Vibrations