Geometry & MOs

Info

ID:	292356
PubChem CID:	114917402
Reduced:	OCl2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	289.038482
ΔH_f, kcal/mol:	-38.19
Dipole, Da:	4.19
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)N(C)C(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations