Geometry & MOs

Info

ID:	252121
PubChem CID:	103109275
Reduced:	ClO3N4C12H19 (1)
Stoich.:	AB3C4D12E19 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-105.0
Dipole, Da:	1.14
IP(EA), eV:	-10.12(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]pentanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)N1C(=C(N=N1)C(=O)OCC)CCl

DOS

IR

Vibrations