Geometry & MOs

Info

ID:	394614
PubChem CID:	135023288
Reduced:	OC14H26 (1)
Stoich.:	AB14C26 (1)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	2.25
IP(EA), eV:	-9.53(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2R)-2-methyl-3-[(1R)-4-nitrocyclohexa-2,4-dien-1-yl]propylidene]oxolan-2-yl]pyran-4-one

Drug info:

PubChemData

Smile

CCCCCCCCC=CC1CCCO1

DOS

IR

Vibrations