Geometry & MOs

Info

ID:	205289
PubChem CID:	80080600
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	57.68
Dipole, Da:	0.98
IP(EA), eV:	-8.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-5-methylanilino)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)N(C)CC2=CSC=N2

DOS

IR

Vibrations