Geometry & MOs

Info

ID:	419113
PubChem CID:	135107532
Reduced:	NO3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	322.06551
ΔH_f, kcal/mol:	-100.75
Dipole, Da:	6.32
IP(EA), eV:	-8.88(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC=C(C=C3)COC4=CC=CC=C4)O

DOS

IR

Vibrations