Geometry & MOs

Info

ID:	142458
PubChem CID:	53037246
Reduced:	FON5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	363.140533
ΔH_f, kcal/mol:	12.82
Dipole, Da:	10.05
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-(4-phenylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCNC2=NC=C(C=C2)C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations