Geometry & MOs

Info

ID:	283862
PubChem CID:	104013942
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-50.18
Dipole, Da:	7.04
IP(EA), eV:	-9.1(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylpyridin-2-yl)-(1-propylimidazol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C2=NC(=C(S2)CC(=O)O)C)C

DOS

IR

Vibrations