Geometry & MOs

Info

ID:	431113
PubChem CID:	135171183
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-4.57
Dipole, Da:	6.41
IP(EA), eV:	-9.08(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-(furo[3,2-b]pyridin-2-ylmethylamino)cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=NO2)C(C)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations