Geometry & MOs

Info

ID:	272762
PubChem CID:	103755972
Reduced:	BrOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	296.05243
ΔH_f, kcal/mol:	-29.59
Dipole, Da:	2.88
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCS1)C(=O)C2=CC(=NC=C2)Br)C

DOS

IR

Vibrations