Geometry & MOs

Info

ID:	224624
PubChem CID:	85345411
Reduced:	ON7C14H19 (1)
Stoich.:	AB7C14D19 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	47.07
Dipole, Da:	6.78
IP(EA), eV:	-9.23(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1C(NC2C(N1)C(=O)NC(N2)N3C4=CC=CC=C4N=N3)C

DOS

IR

Vibrations