Geometry & MOs

Info

ID:	209452
PubChem CID:	80675586
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	322.00991
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	4.02
IP(EA), eV:	-8.6(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CCCC2CCCBr

DOS

IR

Vibrations