Geometry & MOs

Info

ID:	200408
PubChem CID:	79382764
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-86.74
Dipole, Da:	4.47
IP(EA), eV:	-9.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(oxan-3-ylmethyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1C(C)C2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations