Geometry & MOs

Info

ID:	297830
PubChem CID:	117633231
Reduced:	FNOC19H26 (1)
Stoich.:	ABCD19E26 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-49.41
Dipole, Da:	2.42
IP(EA), eV:	-8.9(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-methylphenyl)-4-[[(3R)-pyrrolidin-3-yl]amino]butan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@H](CN(CC2CC2)CC3CC3)C(=O)C)F

DOS

IR

Vibrations