Geometry & MOs

Info

ID:	431273
PubChem CID:	135171344
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-95.63
Dipole, Da:	6.41
IP(EA), eV:	-9.59(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[dihydroxy(phenyl)methyl]amino]cyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NC(=O)OC(C)(C)C)C(=O)C2=NC3=C(N2)C=C(C=C3)C#N

DOS

IR

Vibrations