Geometry & MOs

Info

ID:	423647
PubChem CID:	135119901
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	1.29
IP(EA), eV:	-9.12(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CCCOCC3=CC=CC=C3

DOS

IR

Vibrations