Geometry & MOs

Info

ID:	304550
PubChem CID:	124756260
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	26.17
Dipole, Da:	4.76
IP(EA), eV:	-9.39(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-1-[(3-methylphenyl)methyl]-4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=NC=C1)N(C)CC2=NOC(=N2)COC

DOS

IR

Vibrations