Geometry & MOs

Info

ID:	71306
PubChem CID:	48414598
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-12.98
Dipole, Da:	3.39
IP(EA), eV:	-8.83(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)OC

DOS

IR

Vibrations