Geometry & MOs

Info

ID:	379357
PubChem CID:	134419156
Reduced:	NO4C25H39 (1)
Stoich.:	AB4C25D39 (1)
Weight, g/mol:	483.240959
ΔH_f, kcal/mol:	-217.4
Dipole, Da:	3.53
IP(EA), eV:	-9.01(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-ethenyl-4-[2-[(2-nitrophenyl)methoxy]-4-propylphenyl]cyclohexa-1,3-dien-1-yl]-2,2-dimethylpyran

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=C(C=C1)C2CCCCCCCC2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations