Geometry & MOs

Info

ID:	59475
PubChem CID:	24875025
Reduced:	ClON2C11H13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	544.22974
ΔH_f, kcal/mol:	-43.23
Dipole, Da:	1.42
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CCC(=CC1)C2=C(C=CC(=C2)CCN3CCOCC3)NC(=O)C4=NC(=C(N4)Cl)Cl

DOS

IR

Vibrations