Geometry & MOs

Info

ID:	135528
PubChem CID:	51886858
Reduced:	O2N4C22H27 (1)
Stoich.:	A2B4C22D27 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-27.66
Dipole, Da:	3.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.110943
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CNC(=O)C1=CC2=C(C=C1)N3CCC[C@H]3C(=O)N2)C4=CC=CC=C4

DOS

IR

Vibrations