Geometry & MOs

Info

ID:	431110
PubChem CID:	135171180
Reduced:	O3N5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	475.221954
ΔH_f, kcal/mol:	-22.5
Dipole, Da:	3.74
IP(EA), eV:	-8.57(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-nitro-N-[3-[(3-prop-2-ynoxyphenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)CNCC4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations