Geometry & MOs

Info

ID:	37886
PubChem CID:	8025324
Reduced:	NOSH17C19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	312.134816
ΔH_f, kcal/mol:	27.52
Dipole, Da:	3.65
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-(N-methylanilino)propyliminomethyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations