Geometry & MOs

Info

ID:	399412
PubChem CID:	135040153
Reduced:	O2C15H26 (1)
Stoich.:	A2B15C26 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	2.09
IP(EA), eV:	-8.86(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(S)-anilino(phenyl)methyl]pentan-2-one

Drug info:

PubChemData

Smile

C/C=C(\C)/C=C(\C)/[C@@H]1[C@@H]([C@@H](OC(O1)(C)C)C)C

DOS

IR

Vibrations