Geometry & MOs

Info

ID:	183359
PubChem CID:	77011734
Reduced:	BrOSN3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	256.153541
ΔH_f, kcal/mol:	75.31
Dipole, Da:	4.59
IP(EA), eV:	-9.59(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-2-[4-(oxolane-3-carbonyl)piperazin-1-yl]ethanimidamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)N=NC2=S)Br

DOS

IR

Vibrations