Geometry & MOs

Info

ID:	137532
PubChem CID:	52221915
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	48.44
Dipole, Da:	5.61
IP(EA), eV:	-9.34(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,5-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CNC(=O)N(C)[C@H](C)C2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations