Geometry & MOs

Info

ID:	415426
PubChem CID:	135088420
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-48.97
Dipole, Da:	3.45
IP(EA), eV:	-9.25(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(=O)N2CCCN(CC2)C(=O)CC3CCC4=CC=CC=C34

DOS

IR

Vibrations