Geometry & MOs

Info

ID:	242466
PubChem CID:	96100286
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-65.5
Dipole, Da:	5.34
IP(EA), eV:	-8.52(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)O[C@@H](C2)C(=O)N3CCO[C@@H](C3)C4=NNC(=N4)C

DOS

IR

Vibrations