Geometry & MOs

Info

ID:	78508
PubChem CID:	49693439
Reduced:	N3O5C10H11 (1)
Stoich.:	A3B5C10D11 (1)
Weight, g/mol:	301.97246
ΔH_f, kcal/mol:	-82.52
Dipole, Da:	2.64
IP(EA), eV:	-10.19(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromothiophene-2-carbonyl)-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations