Geometry & MOs

Info

ID:	285856
PubChem CID:	104134019
Reduced:	ClOSN2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	311.140055
ΔH_f, kcal/mol:	-4.31
Dipole, Da:	4.02
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N(CC)CC2=CC=CS2)Cl

DOS

IR

Vibrations