Geometry & MOs

Info

ID:	71432
PubChem CID:	48414850
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	22.26
Dipole, Da:	5.04
IP(EA), eV:	-9.09(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CCC#C)[N+](=O)[O-]

DOS

IR

Vibrations