Geometry & MOs

Info

ID:	155308
PubChem CID:	56352894
Reduced:	N4O5C24H26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	7.5
IP(EA), eV:	-8.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-2-phenyl-3,4-dihydropyrazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C)(C)C3=CC4=C(C=C3)OCCO4)C)[N+](=O)[O-]

DOS

IR

Vibrations