Geometry & MOs

Info

ID:	281064
PubChem CID:	103852706
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	354.05791
ΔH_f, kcal/mol:	-112.79
Dipole, Da:	3.52
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-bromo-3-methylbenzoyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(CCOC)CCOC)Br

DOS

IR

Vibrations