Geometry & MOs

Info

ID:	64537
PubChem CID:	29202797
Reduced:	ClNO4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-128.3
Dipole, Da:	8.36
IP(EA), eV:	-9.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-4-(4-nitroanilino)butanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl

DOS

IR

Vibrations