Geometry & MOs

Info

ID:	237826
PubChem CID:	92721802
Reduced:	BrO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	461.213698
ΔH_f, kcal/mol:	-33.92
Dipole, Da:	4.88
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopentyl-3-methyl-2-[2-(4-methylsulfanylphenyl)ethyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C(=O)C3=CC4=CC=CC=C4N3C[C@]2(C)C(=O)NC5CCCC5)Br

DOS

IR

Vibrations