Geometry & MOs

Info

ID:	298450
PubChem CID:	117649602
Reduced:	NO2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	3.85
IP(EA), eV:	-8.89(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-1-(4-methylphenyl)-2-(propan-2-ylamino)pentan-3-one

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@H](C12CC3CC(C1)CC(C3)(C2)O)NC(C)C

DOS

IR

Vibrations