Geometry & MOs

Info

ID:	431111
PubChem CID:	135171181
Reduced:	O4N5C26H29 (1)
Stoich.:	A4B5C26D29 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	21.06
Dipole, Da:	5.03
IP(EA), eV:	-8.77(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)OCC#C)C(=O)C3=NC4=C(N3)C=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations