Geometry & MOs

Info

ID:	237824
PubChem CID:	92721797
Reduced:	O3N5C28H41 (1)
Stoich.:	A3B5C28D41 (1)
Weight, g/mol:	455.182062
ΔH_f, kcal/mol:	-108.35
Dipole, Da:	5.28
IP(EA), eV:	-8.25(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclopentyl-3-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC3=C2C=C(C=C3)OC)C(=O)N1CCCN4CCN(CC4)C)C(=O)NC5CCCCC5

DOS

IR

Vibrations