Geometry & MOs

Info

ID:	304500
PubChem CID:	124756058
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	312.231397
ΔH_f, kcal/mol:	-12.99
Dipole, Da:	5.24
IP(EA), eV:	-8.96(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9aS)-2-[(1-ethylindol-4-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)CN(C)CC(=O)N[C@H](C)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations