Geometry & MOs

Info

ID:	326325
PubChem CID:	126687333
Reduced:	ClN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	2.91
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4S)-4-(carboxymethyl)-1-methylpyrrolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1(CC3=CC=C(C=C3)Cl)O)CCC4=NC=C(C=C4)O

DOS

IR

Vibrations