Geometry & MOs

Info

ID:	304489
PubChem CID:	124754290
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	-124.39
Dipole, Da:	6.51
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(CCN1CC3=CC(=C(C=C3)OC)C(=O)O)C=CC(=C2)OC

DOS

IR

Vibrations