Geometry & MOs

Info

ID:	140443
PubChem CID:	52698227
Reduced:	BrN2O4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	466.283158
ΔH_f, kcal/mol:	-125.01
Dipole, Da:	3.82
IP(EA), eV:	-8.39(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(adamantane-1-carbonyl)-N-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C(=O)NC2=CC(=C(C=C2C(=O)N3CCCC3)OC)OC

DOS

IR

Vibrations