Geometry & MOs

Info

ID:	80994
PubChem CID:	49854234
Reduced:	BrO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	412.153541
ΔH_f, kcal/mol:	-1.78
Dipole, Da:	5.8
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NC2=C1C(=CC=C2)Br)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations