Geometry & MOs

Info

ID:	159832
PubChem CID:	57288799
Reduced:	N3C31H35 (1)
Stoich.:	A3B31C35 (1)
Weight, g/mol:	437.277738
ΔH_f, kcal/mol:	72.3
Dipole, Da:	4.35
IP(EA), eV:	-8.49(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3S,5S)-1-cyclohexyl-3,5-dihydroxy-6-(methoxymethoxy)-6-methylheptan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCNCCC(CCC2=CC3=CC=CC=C3N2)CC4=CC5=CC=CC=C5N4

DOS

IR

Vibrations