Geometry & MOs

Info

ID:	190553
PubChem CID:	78020173
Reduced:	O2N4C33H34 (1)
Stoich.:	A2B4C33D34 (1)
Weight, g/mol:	507.263425
ΔH_f, kcal/mol:	55.74
Dipole, Da:	5.54
IP(EA), eV:	-8.81(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-methylbicyclo[3.3.1]nonane-1-carbonyl)amino]phenyl]-N-(4-methylpyridin-2-yl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)NC3C4CCCC5CC3CC5C4)N=C1C6=CC=C(C=C6)NC(=O)C7=CC=CC=C7

DOS

IR

Vibrations