Geometry & MOs

Info

ID:	236919
PubChem CID:	92716267
Reduced:	ON2C17H20 (2)
Stoich.:	AB2C17D20 (2)
Weight, g/mol:	518.305705
ΔH_f, kcal/mol:	-32.61
Dipole, Da:	7.23
IP(EA), eV:	-8.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(N3C[C@]2(C)C(=O)NC5CCC(CC5)C)C=CC(=C4)C)N6C=CC=C6

DOS

IR

Vibrations