Geometry & MOs

Info

ID:	432091
PubChem CID:	135172223
Reduced:	OSC9H14 (1)
Stoich.:	ABC9D14 (1)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	-32.24
Dipole, Da:	2.59
IP(EA), eV:	-8.5(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[2-methylpropyl(spiro[3.3]heptan-2-yl)amino]-3-nitrophenyl]butanoate

Drug info:

PubChemData

Smile

CC1(CCSC(=C2CC2)C1)O

DOS

IR

Vibrations