Geometry & MOs

Info

ID:	326832
PubChem CID:	126688311
Reduced:	O4N5C23H23 (1)
Stoich.:	A4B5C23D23 (1)
Weight, g/mol:	445.175004
ΔH_f, kcal/mol:	-58.7
Dipole, Da:	3.55
IP(EA), eV:	-8.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCO)N1C2=C(C=C(C=C2)N3CCOCC3=O)N=C1NC(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations