Geometry & MOs

Info

ID:	421671
PubChem CID:	135116406
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	368.176979
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	4.9
IP(EA), eV:	-8.44(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4S)-4-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)N2CCC(CC2)N3CCC(CC3)C(=O)O

DOS

IR

Vibrations