Geometry & MOs

Info

ID:	71567
PubChem CID:	48415055
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	370.156039
ΔH_f, kcal/mol:	-50.55
Dipole, Da:	3.33
IP(EA), eV:	-8.56(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)OC

DOS

IR

Vibrations