Geometry & MOs

Info

ID:	414422
PubChem CID:	135087380
Reduced:	F2O2N3C15H17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-143.76
Dipole, Da:	6.21
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)N(CCO)CC2=CN=C(N2)C)F)F

DOS

IR

Vibrations