Geometry & MOs

Info

ID:	312426
PubChem CID:	126604775
Reduced:	N3C12H19 (1)
Stoich.:	A3B12C19 (1)
Weight, g/mol:	401.086784
ΔH_f, kcal/mol:	37.95
Dipole, Da:	0.51
IP(EA), eV:	-8.14(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[[5-[(11-methyl-3,12-dithia-4-azatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,10-tetraen-13-yl)oxy]pyridin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=CCC=C2)N

DOS

IR

Vibrations