Geometry & MOs

Info

ID:	237836
PubChem CID:	92721820
Reduced:	N3O5C26H37 (1)
Stoich.:	A3B5C26D37 (1)
Weight, g/mol:	443.257277
ΔH_f, kcal/mol:	-188.19
Dipole, Da:	3.73
IP(EA), eV:	-7.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cycloheptyl-3-methyl-1-oxo-2-[(1S)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC3=C(C=CC(=C32)OC)OC)C(=O)N1CCCOC)C(=O)NC4CCCCCC4

DOS

IR

Vibrations