Geometry & MOs

Info

ID:	407872
PubChem CID:	135080627
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-3.06
Dipole, Da:	4.02
IP(EA), eV:	-9.93(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-1-(4-methoxyphenyl)pentan-1-one

Drug info:

PubChemData

Smile

CC1(C2CC=C(C1C2)[C@@H](C#N)O)C

DOS

IR

Vibrations