Geometry & MOs

Info

ID:	326864
PubChem CID:	126688443
Reduced:	BrN4O5C23H23 (1)
Stoich.:	AB4C5D23E23 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	-137.49
Dipole, Da:	5.28
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)OCCCN1C2=C(C=C(C=C2)N3CCOCC3=O)N=C1NC(=O)C4=CC(=CC=C4)Br

DOS

IR

Vibrations