Geometry & MOs

Info

ID:	135427
PubChem CID:	51870213
Reduced:	N3O3C27H37 (1)
Stoich.:	A3B3C27D37 (1)
Weight, g/mol:	451.283492
ΔH_f, kcal/mol:	-150.54
Dipole, Da:	4.11
IP(EA), eV:	-8.64(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(adamantane-1-carbonyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations