Geometry & MOs

Info

ID:	177012
PubChem CID:	76125553
Reduced:	N4O4C25H32 (1)
Stoich.:	A4B4C25D32 (1)
Weight, g/mol:	330.25588
ΔH_f, kcal/mol:	-95.53
Dipole, Da:	5.44
IP(EA), eV:	-8.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;5-methyl-2-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-1,3-dioxane

Drug info:

PubChemData

Smile

CC(C)(C)C(CO)NC(=O)C(CC(=O)NO)N1CN(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations