Geometry & MOs

Info

ID:	364736
PubChem CID:	127316042
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-64.88
Dipole, Da:	6.35
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations