Geometry & MOs

Info

ID:	287901
PubChem CID:	104298083
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-80.83
Dipole, Da:	1.57
IP(EA), eV:	-9.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-hydroxyprop-1-ynyl)-3-methylbenzoyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)C2=CC(=C(C=C2)C#CCO)C

DOS

IR

Vibrations