Geometry & MOs

Info

ID:	140884
PubChem CID:	52776324
Reduced:	O3N4C25H38 (1)
Stoich.:	A3B4C25D38 (1)
Weight, g/mol:	325.227989
ΔH_f, kcal/mol:	-147.84
Dipole, Da:	6.33
IP(EA), eV:	-8.82(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[(1S)-1-(4-methylphenyl)-2-[(2-methyl-2-phenylpropanoyl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](CNC(=O)CN2C(=O)C3(CCC(CC3)C(C)(C)C)NC2=O)N(C)C

DOS

IR

Vibrations