Geometry & MOs

Info

ID:	20022
PubChem CID:	577041
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-89.58
Dipole, Da:	5.73
IP(EA), eV:	-9.31(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6,10,10-tetramethylspiro[4.5]dec-6-en-4-yl) 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CCCC(C12CCCC2(C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C

DOS

IR

Vibrations