Geometry & MOs

Info

ID:	432379
PubChem CID:	135172512
Reduced:	SO8N9C57H73 (1)
Stoich.:	AB8C9D57E73 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-214.41
Dipole, Da:	3.06
IP(EA), eV:	-8.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-4-[3-(5-methylpyridin-2-yl)oxypropyl]piperazine

Drug info:

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCCCCN4CCN(CC4)CCOC5=C6COC/C=C/COCC7=CC(=CC=C7)C8=NC(=NC=C8)NC(=C6)C=C5)O

DOS

IR

Vibrations