Geometry & MOs

Info

ID:	81080
PubChem CID:	49854326
Reduced:	ON4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	30.48
Dipole, Da:	6.24
IP(EA), eV:	-8.9(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-carbamoyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

C1C(NC2=CC=CC=C21)C3=NC4=C(C=CC=C4N3)C(=O)N

DOS

IR

Vibrations