Geometry & MOs

Info

ID:	283671
PubChem CID:	103997438
Reduced:	O2N5H11C14 (1)
Stoich.:	A2B5C11D14 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	27.68
Dipole, Da:	7.83
IP(EA), eV:	-9.39(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-isoindol-5-yl)-1-ethyl-5-methylbenzimidazole

Drug info:

PubChemData

Smile

C1C2=C(CN1C3=NC=NC4=C3NC=N4)C=C(C=C2)C(=O)O

DOS

IR

Vibrations