Geometry & MOs

Info

ID:	235625
PubChem CID:	92710219
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-52.79
Dipole, Da:	1.75
IP(EA), eV:	-8.28(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)C[C@H](C2=CC=CC=C2)N3C=CC=C3)OC

DOS

IR

Vibrations