Geometry & MOs

Info

ID:	297829
PubChem CID:	117633220
Reduced:	FNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	303.199843
ΔH_f, kcal/mol:	-93.16
Dipole, Da:	3.4
IP(EA), eV:	-8.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[bis(cyclopropylmethyl)amino]-3-(3-fluoro-4-methylphenyl)butan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](CNC(C)C)C(=O)C)F

DOS

IR

Vibrations