Geometry & MOs

Info

ID:	390761
PubChem CID:	135000807
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-107.38
Dipole, Da:	4.9
IP(EA), eV:	-9.28(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-1-[(1R)-1-cyclohexyl-2-nitroethoxy]-1-phenylpropan-2-yl]formamide

Drug info:

PubChemData

Smile

CCCCC(C)CC(=O)N(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O

DOS

IR

Vibrations