Geometry & MOs

Info

ID:	237835
PubChem CID:	92721818
Reduced:	N3O5C27H39 (1)
Stoich.:	A3B5C27D39 (1)
Weight, g/mol:	471.273321
ΔH_f, kcal/mol:	-198.48
Dipole, Da:	5.23
IP(EA), eV:	-7.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cycloheptyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C2=CC3=C(C=CC(=C3N2C[C@]1(C)C(=O)NC4CCCCCC4)OC)OC

DOS

IR

Vibrations