Geometry & MOs

Info

ID:	235626
PubChem CID:	92710227
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-7.5
Dipole, Da:	3.43
IP(EA), eV:	-8.55(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN([C@@H](C3)C)C4=CC=CC(=C4)C

DOS

IR

Vibrations