Geometry & MOs

Info

ID:	56067
PubChem CID:	17404156
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	41.76
Dipole, Da:	6.51
IP(EA), eV:	-8.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CSC=C4

DOS

IR

Vibrations