Geometry & MOs

Info

ID:	130852
PubChem CID:	51117702
Reduced:	ClOF2N3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	347.103669
ΔH_f, kcal/mol:	-93.08
Dipole, Da:	5.26
IP(EA), eV:	-8.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[6-(diethylamino)pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)F)F

DOS

IR

Vibrations