Geometry & MOs

Info

ID:	291399
PubChem CID:	112371496
Reduced:	BrNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-64.47
Dipole, Da:	3.24
IP(EA), eV:	-9.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-phenylbutan-2-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN(C)C(=O)C1=CC2=C(C=C1)C=C(C=C2)Br)O

DOS

IR

Vibrations