Geometry & MOs

Info

ID:	184736
PubChem CID:	77200809
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	374.147786
ΔH_f, kcal/mol:	-84.83
Dipole, Da:	6.81
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C)OC(=O)NC1CC2=C(C1)N(C3=C2C=C(C=C3)C#N)CC4C(CCN4)O

DOS

IR

Vibrations