Geometry & MOs

Info

ID:	304540
PubChem CID:	124756222
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	1.58
Dipole, Da:	5.05
IP(EA), eV:	-8.47(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8aS)-2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)[C@@H](C)NC(=O)C2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations