Geometry & MOs

Info

ID:	442614
PubChem CID:	135253398
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	224.035255
ΔH_f, kcal/mol:	-6.81
Dipole, Da:	2.37
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1,3-dimethylpyrrolo[2,3-b]pyridin-5-yl) formate

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C1)N(C=C2CO)C

DOS

IR

Vibrations