Geometry & MOs

Info

ID:	71781
PubChem CID:	48415380
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	4.46
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COC2=CC=CC(=C2)NC(=O)C3CC3

DOS

IR

Vibrations