Geometry & MOs

Info

ID:	272752
PubChem CID:	103755406
Reduced:	BrO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	312.04734
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	5.67
IP(EA), eV:	-10.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)NC(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations