Geometry & MOs

Info

ID:	178270
PubChem CID:	76307407
Reduced:	S2N3O6C20H21 (1)
Stoich.:	A2B3C6D20E21 (1)
Weight, g/mol:	490.246772
ΔH_f, kcal/mol:	-160.59
Dipole, Da:	3.72
IP(EA), eV:	-8.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(pyridin-2-ylmethoxy)phenyl]methyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCCCN3C(=O)CSC3=CC(=O)OC

DOS

IR

Vibrations