Geometry & MOs

Info

ID:	71408
PubChem CID:	48414806
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-26.24
Dipole, Da:	6.06
IP(EA), eV:	-8.81(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3,4-diethoxyphenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations