Geometry & MOs

Info

ID:	364897
PubChem CID:	127316485
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-62.05
Dipole, Da:	2.77
IP(EA), eV:	-8.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-(4-ethoxy-1-phenylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)C2CCC2)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations