Geometry & MOs

Info

ID:	39346
PubChem CID:	8140389
Reduced:	N2O2C20H27 (1)
Stoich.:	A2B2C20D27 (1)
Weight, g/mol:	366.218152
ΔH_f, kcal/mol:	-31.93
Dipole, Da:	2.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.001299
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations