Geometry & MOs

Info

ID:	81174
PubChem CID:	49854431
Reduced:	O3N4H22C25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	440.184841
ΔH_f, kcal/mol:	-33.94
Dipole, Da:	4.86
IP(EA), eV:	-9.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C4=NC5=C(C=CC=C5N4)C(=O)N

DOS

IR

Vibrations