Geometry & MOs

Info

ID:	264791
PubChem CID:	103490242
Reduced:	ClN2O2C14H23 (1)
Stoich.:	AB2C2D14E23 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-91.73
Dipole, Da:	4.25
IP(EA), eV:	-8.61(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethoxypropan-2-yloxymethyl)-2-nitro-N-propylaniline

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(C=C1)Cl)COC(C)COCC

DOS

IR

Vibrations