Geometry & MOs

Info

ID:	71605
PubChem CID:	48415099
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	5.89
IP(EA), eV:	-8.72(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-4-phenoxybutan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

DOS

IR

Vibrations