Geometry & MOs

Info

ID:	131866
PubChem CID:	51271471
Reduced:	ON4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	81.31
Dipole, Da:	3.66
IP(EA), eV:	-8.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenoxy)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CCN1CC3=NOC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations