Geometry & MOs

Info

ID:	238563
PubChem CID:	92741919
Reduced:	O3N4C28H32 (1)
Stoich.:	A3B4C28D32 (1)
Weight, g/mol:	494.208469
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	6.52
IP(EA), eV:	-8.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-10-acetamido-2-[(3-chlorophenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C[C@]2(C)C(=O)NC5CCCC5)NC(=O)C

DOS

IR

Vibrations