Geometry & MOs

Info

ID:	71653
PubChem CID:	48415160
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	24.45
Dipole, Da:	3.36
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations