Geometry & MOs

Info

ID:	71651
PubChem CID:	48415158
Reduced:	ClO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	378.17102
ΔH_f, kcal/mol:	-14.19
Dipole, Da:	2.71
IP(EA), eV:	-9.08(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations