Geometry & MOs

Info

ID:	364821
PubChem CID:	127316229
Reduced:	OSN4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	380.130697
ΔH_f, kcal/mol:	35.68
Dipole, Da:	6.45
IP(EA), eV:	-8.83(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations