Geometry & MOs

Info

ID:	355647
PubChem CID:	127289405
Reduced:	O3N7C19H23 (1)
Stoich.:	A3B7C19D23 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	6.78
IP(EA), eV:	-9.2(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethyl-1H-indol-7-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=NC4=C(C=C3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations