Geometry & MOs

Info

ID:	196595
PubChem CID:	78851914
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-63.1
Dipole, Da:	1.88
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)CC(=O)N4CCOCC4

DOS

IR

Vibrations