Geometry & MOs

Info

ID:	210412
PubChem CID:	80803318
Reduced:	ClOSN5C12H16 (1)
Stoich.:	ABCD5E12F16 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	8.52
Dipole, Da:	1.91
IP(EA), eV:	-9.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[3-(methylamino)-5-nitroanilino]propanamide

Drug info:

PubChemData

Smile

CC(C)OC1=NC(=NC(=N1)NC(C)C2=CC=C(S2)Cl)N

DOS

IR

Vibrations