Geometry & MOs

Info

ID:	81082
PubChem CID:	49854328
Reduced:	ON4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	412.153541
ΔH_f, kcal/mol:	22.21
Dipole, Da:	5.8
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-(4-carbamoyl-1H-benzimidazol-2-yl)-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2NC1C3=NC4=C(C=CC=C4N3)C(=O)N

DOS

IR

Vibrations