Geometry & MOs

Info

ID:	415704
PubChem CID:	135088704
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	2.64
IP(EA), eV:	-8.72(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC12CCO2)CC3=CC=CC=C3OCCCCN4C=CN=C4

DOS

IR

Vibrations