Geometry & MOs

Info

ID:	1439
PubChem CID:	4442
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	24.13
Dipole, Da:	4.96
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylindol-3-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4

DOS

IR

Vibrations