Geometry & MOs

Info

ID:	364823
PubChem CID:	127316231
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	330.151433
ΔH_f, kcal/mol:	30.52
Dipole, Da:	6.63
IP(EA), eV:	-8.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=CC=C(C3=CC=CC1=C23)C(=O)N4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations