Geometry & MOs

Info

ID:	389916
PubChem CID:	134995970
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-95.42
Dipole, Da:	1.97
IP(EA), eV:	-10.05(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-2,3-dimethylbutanal

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)C2C(O2)C=C)C

DOS

IR

Vibrations