Geometry & MOs

Info

ID:	209856
PubChem CID:	80731936
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-26.34
Dipole, Da:	4.1
IP(EA), eV:	-8.98(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylbutan-2-yl)-3-nitro-5-propoxyaniline

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=CN1C2CC3CCC2O3

DOS

IR

Vibrations