Geometry & MOs

Info

ID:	228594
PubChem CID:	87565377
Reduced:	N3O6C23H25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	167.061614
ΔH_f, kcal/mol:	21.88
Dipole, Da:	3.83
IP(EA), eV:	-9.5(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethanol;2-hydroxypropanethioic S-acid

Drug info:

PubChemData

Smile

CC1(C(=O)[N+](C(C(=O)[N+]1(CC=C)[O-])CC2=CC=CC=C2[N+](=O)[O-])(C)[O-])CC3=CC=CC=C3

DOS

IR

Vibrations