Geometry & MOs

Info

ID:	238546
PubChem CID:	92741853
Reduced:	FO3N4C27H37 (1)
Stoich.:	AB3C4D27E37 (1)
Weight, g/mol:	498.264234
ΔH_f, kcal/mol:	-184.93
Dipole, Da:	7.57
IP(EA), eV:	-8.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-10-acetamido-N-cycloheptyl-8-fluoro-3-methyl-1-oxo-2-[[(2R)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=C(C3=C(N2C[C@]1(C)C(=O)NC4CCCCCC4)C=CC(=C3)F)NC(=O)C

DOS

IR

Vibrations