Geometry & MOs

Info

ID:	292373
PubChem CID:	114917810
Reduced:	OCl2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	323.059217
ΔH_f, kcal/mol:	-11.92
Dipole, Da:	3.61
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(CC2)NC(=O)C3=CC(=NC=C3Cl)Cl

DOS

IR

Vibrations