Geometry & MOs

Info

ID:	242465
PubChem CID:	96100285
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-49.91
Dipole, Da:	4.72
IP(EA), eV:	-9.02(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-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=NC(=NN1)[C@H]2CN(CCO2)C(=O)C3=CC=CC=C3OC4CCC4

DOS

IR

Vibrations