Geometry & MOs

Info

ID:	238338
PubChem CID:	92737490
Reduced:	SN3O3C24H35 (1)
Stoich.:	AB3C3D24E35 (1)
Weight, g/mol:	490.258006
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	2.09
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6,9-dimethoxy-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)C=C3N2C[C@](N(C3=O)CCCOCC)(C)C(=O)NC4CCCCC4

DOS

IR

Vibrations