Geometry & MOs

Info

ID:	237822
PubChem CID:	92721795
Reduced:	N3O3C28H39 (1)
Stoich.:	A3B3C28D39 (1)
Weight, g/mol:	465.299142
ΔH_f, kcal/mol:	-120.4
Dipole, Da:	4.35
IP(EA), eV:	-8.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclohexyl-2-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)N2C(=O)C3=CC4=C(N3C[C@]2(C)C(=O)NC5CCCCC5)C=C(C=C4)OC

DOS

IR

Vibrations