Geometry & MOs

Info

ID:	295126
PubChem CID:	117518208
Reduced:	BrN2O4H13C14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	352.03981
ΔH_f, kcal/mol:	-97.08
Dipole, Da:	8.54
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine

Drug info:

PubChemData

Smile

CC1=C(C=C2C(=C1C3=CC(=NN3C)C(=O)O)OCCO2)Br

DOS

IR

Vibrations