Geometry & MOs

Info

ID:	418333
PubChem CID:	135104210
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-60.89
Dipole, Da:	3.02
IP(EA), eV:	-8.51(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CNC(=O)N(C)C

DOS

IR

Vibrations