Geometry & MOs

Info

ID:	272647
PubChem CID:	103750712
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	6.56
IP(EA), eV:	-9.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-4-methylpentan-3-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations