Geometry & MOs

Info

ID:	121144
PubChem CID:	50757250
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-95.83
Dipole, Da:	3.9
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-N-(oxolan-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CN2C3=CC=CC=C3N=C2C(=O)N1CCCOC)C(=O)NC4CCCCC4

DOS

IR

Vibrations