Geometry & MOs

Info

ID:	36394
PubChem CID:	8005208
Reduced:	N3O3C14H27 (1)
Stoich.:	A3B3C14D27 (1)
Weight, g/mol:	344.080633
ΔH_f, kcal/mol:	-168.49
Dipole, Da:	1.92
IP(EA), eV:	-9.18(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CCOC(=O)N1CCCN(CC1)CC(=O)NC(C)(C)C

DOS

IR

Vibrations