Geometry & MOs

Info

ID:	364738
PubChem CID:	127316044
Reduced:	ON6C22H26 (1)
Stoich.:	AB6C22D26 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	57.88
Dipole, Da:	7.3
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-5-yl-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=C(CCC3)C(=N2)C(=O)N4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations