Geometry & MOs

Info

ID:	417693
PubChem CID:	135102502
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	290.247047
ΔH_f, kcal/mol:	-31.52
Dipole, Da:	5.69
IP(EA), eV:	-8.59(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2,5-dimethyl-4-prop-2-enylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)NC2CCC3=CC=CC=C3C2

DOS

IR

Vibrations