Geometry & MOs

Info

ID:	272310
PubChem CID:	103739219
Reduced:	SN3O4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	7.95
IP(EA), eV:	-9.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3-aminopyrazin-2-yl)amino]ethyl]phenol

Drug info:

PubChemData

Smile

COC1=NC(=C(C=C1)[N+](=O)[O-])NCC(C2=CSC=C2)O

DOS

IR

Vibrations