Geometry & MOs

Info

ID:	279464
PubChem CID:	103844013
Reduced:	BrClON3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	74.44
Dipole, Da:	2.38
IP(EA), eV:	-8.72(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)C2=NOC(=N2)C3=CC(=C(C=C3)Cl)Br

DOS

IR

Vibrations