Geometry & MOs

Info

ID:	252737
PubChem CID:	103113659
Reduced:	N3O3C10H17 (1)
Stoich.:	A3B3C10D17 (1)
Weight, g/mol:	238.095357
ΔH_f, kcal/mol:	-95.41
Dipole, Da:	5.44
IP(EA), eV:	-10.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CCCO)C(=O)OC

DOS

IR

Vibrations