Geometry & MOs

Info

ID:	305523
PubChem CID:	124958340
Reduced:	FO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-147.1
Dipole, Da:	1.5
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-[[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)[C@H]2CCCN(C2)C(=O)[C@H]3CCCO3)C)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations