Geometry & MOs

Info

ID:	433256
PubChem CID:	135173393
Reduced:	NO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	499.196802
ΔH_f, kcal/mol:	-120.98
Dipole, Da:	2.66
IP(EA), eV:	-8.96(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[4-[5-[(13R)-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,3'-2H-1-benzofuran]-4-yl]pyrimidin-2-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOCC[C@@H](C(=O)C(C)C)NC(C)C

DOS

IR

Vibrations