Geometry & MOs

Info

ID:	125998
PubChem CID:	50947869
Reduced:	ON7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	68.74
Dipole, Da:	2.19
IP(EA), eV:	-8.5(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-(dimethylamino)-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)NC4=CC=CC=N4

DOS

IR

Vibrations