Geometry & MOs

Info

ID:	121136
PubChem CID:	50756920
Reduced:	N3O4C29H29 (1)
Stoich.:	A3B4C29D29 (1)
Weight, g/mol:	446.268176
ΔH_f, kcal/mol:	-65.62
Dipole, Da:	2.14
IP(EA), eV:	-8.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(dimethylamino)phenyl]methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CN2C3=CC=CC=C3C=C2C(=O)N1CC4=CC(=C(C=C4)OC)OC)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations