Geometry & MOs

Info

ID:	269388
PubChem CID:	103617270
Reduced:	ClOSN2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	3.66
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[(4-methyl-3-nitrophenyl)methylamino]propanamide

Drug info:

PubChemData

Smile

CC(C)(CNCC1=C(C2=CC=CC=C2S1)Cl)C(=O)N

DOS

IR

Vibrations