Geometry & MOs

Info

ID:	272700
PubChem CID:	103752014
Reduced:	BrON4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	308.02727
ΔH_f, kcal/mol:	-21.79
Dipole, Da:	2.75
IP(EA), eV:	-8.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCNC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations