Geometry & MOs

Info

ID:	364752
PubChem CID:	127316058
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	25.04
Dipole, Da:	2.9
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(SC2=NC=C1)C(=O)N3CCN(CC3)CC4=NC=CN4)C

DOS

IR

Vibrations