Geometry & MOs

Info

ID:	230240
PubChem CID:	87570496
Reduced:	NO7C20H27 (1)
Stoich.:	AB7C20D27 (1)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	-241.43
Dipole, Da:	7.81
IP(EA), eV:	-8.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3R)-4-methyl-1-[(2R)-oxiran-2-yl]-3-[(3-phenylmethoxyphenyl)methyl]pentyl]carbamic acid

Drug info:

PubChemData

Smile

CC1C(COC(O1)(C)C(=O)O)CCCCO/N=C(\C)/C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations