Geometry & MOs

Info

ID:	238526
PubChem CID:	92741743
Reduced:	FO3N4C28H33 (1)
Stoich.:	AB3C4D28E33 (1)
Weight, g/mol:	484.284969
ΔH_f, kcal/mol:	-140.91
Dipole, Da:	5.61
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C3=C(C4=C(N3C[C@@]2(C)C(=O)NCCC(C)C)C=CC(=C4)F)NC(=O)C

DOS

IR

Vibrations