Geometry & MOs

Info

ID:	128978
PubChem CID:	51064840
Reduced:	BrON3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	362.145285
ΔH_f, kcal/mol:	53.19
Dipole, Da:	4.3
IP(EA), eV:	-9.56(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methylphenyl)thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NC(=N2)COC)C3=CC=C(C=C3)Br

DOS

IR

Vibrations