Geometry & MOs

Info

ID:	315207
PubChem CID:	126625000
Reduced:	ON3C25H35 (1)
Stoich.:	AB3C25D35 (1)
Weight, g/mol:	286.08097
ΔH_f, kcal/mol:	2.35
Dipole, Da:	3.63
IP(EA), eV:	-8.98(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-aminopropyl N-[2-(3,4-dihydroxyphenyl)ethyl]carbamodithioate

Drug info:

PubChemData

Smile

CC(C)(CCOC(C)(C)C(C)(C)N)N=C(C1=CC=CC=C1)C(=N)C2=CC=CC=C2

DOS

IR

Vibrations