Geometry & MOs

Info

ID:	187222
PubChem CID:	77545978
Reduced:	BrO2N6C21H25 (1)
Stoich.:	AB2C6D21E25 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	7.8
IP(EA), eV:	-9.32(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1(C(=O)N(C2=NC=NC3=C2C=CN3)C(CCO)C4=CC=C(C=C4)Br)N

DOS

IR

Vibrations