Geometry & MOs

Info

ID:	212608
PubChem CID:	81061181
Reduced:	SN3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	31.36
Dipole, Da:	4.1
IP(EA), eV:	-8.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-carbamoyl-2,6-dimethylpyridin-4-yl)azetidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(C)C2=C(C(=NC(=C2)C)C)C(=S)N)C

DOS

IR

Vibrations