Geometry & MOs

Info

ID:	272690
PubChem CID:	103751827
Reduced:	BrN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	270.03678
ΔH_f, kcal/mol:	-67.78
Dipole, Da:	3.91
IP(EA), eV:	-8.44(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-pentan-3-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations