Geometry & MOs

Info

ID:	58981
PubChem CID:	24770105
Reduced:	N2O3H15C16 (2)
Stoich.:	A2B3C15D16 (2)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	2.29
IP(EA), eV:	-8.37(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-phenylmethoxy-N-pyridin-4-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC1=NC=CC2=C1N3C=C(C(=O)C(=C3C2=O)C4=C5C(=O)C6=C(N5C=C(C4=O)OC)C(=NC=C6)CC(C)C)OC

DOS

IR

Vibrations