Geometry & MOs

Info

ID:	363731
PubChem CID:	127313361
Reduced:	BrO2N4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-42.89
Dipole, Da:	5.19
IP(EA), eV:	-8.8(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-5-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC(=CN=C3)Br

DOS

IR

Vibrations