Geometry & MOs

Info

ID:	326863
PubChem CID:	126688442
Reduced:	ON2C5H8 (1)
Stoich.:	AB2C5D8 (1)
Weight, g/mol:	514.08518
ΔH_f, kcal/mol:	-7.97
Dipole, Da:	6.06
IP(EA), eV:	-9.9(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3-bromobenzoyl)amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]propyl acetate

Drug info:

PubChemData

Smile

C1C2CN(C2)C(=O)N1

DOS

IR

Vibrations