Geometry & MOs

Info

ID:	415057
PubChem CID:	135088043
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-120.23
Dipole, Da:	5.96
IP(EA), eV:	-8.1(-0.63)
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-(2-methylimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)CCCC2=O)C(=O)N3CCC4(CC3)C5=C(CCO4)C6=CC=CC=C6N5

DOS

IR

Vibrations