Geometry & MOs

Info

ID:	387410
PubChem CID:	134985284
Reduced:	FeNPO2C28H29 (1)
Stoich.:	ABCD2E28F29 (1)
Weight, g/mol:	297.194008
ΔH_f, kcal/mol:	124.86
Dipole, Da:	7.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.905513
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-(2,2-dimethylpropylidene)-4,8,8-trimethyl-4-nitro-6,10-dioxaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC(C)(C)N=O.[C-]#[O+].C1=C[CH]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

DOS

IR

Vibrations