Geometry & MOs

Info

ID:	206309
PubChem CID:	80228548
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-75.77
Dipole, Da:	3.85
IP(EA), eV:	-8.46(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(2,2,4-trimethyl-3-oxopiperazin-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1CC(C2=CC=CC=C2N)O)C)C

DOS

IR

Vibrations