Geometry & MOs

Info

ID:	420663
PubChem CID:	135114629
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-16.93
Dipole, Da:	2.96
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations