Geometry & MOs

Info

ID:	335609
PubChem CID:	127254471
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	360.223535
ΔH_f, kcal/mol:	-98.89
Dipole, Da:	3.96
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[1-(1-adamantyl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=CC=C3)OCC#C)O

DOS

IR

Vibrations