Geometry & MOs

Info

ID:	229709
PubChem CID:	87568594
Reduced:	O4C19H36 (1)
Stoich.:	A4B19C36 (1)
Weight, g/mol:	381.215138
ΔH_f, kcal/mol:	-247.98
Dipole, Da:	1.31
IP(EA), eV:	-10.66(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-1-oxohexan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCC(CC)CC(CCC(C)C(=O)O)(CC(CC)CC)C(=O)O

DOS

IR

Vibrations