Geometry & MOs

Info

ID:	190069
PubChem CID:	77950116
Reduced:	OSN4C8H12 (1)
Stoich.:	ABC4D8E12 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-1.16
Dipole, Da:	4.73
IP(EA), eV:	-9.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-amino-5-(2-methoxypropan-2-yl)pyridin-3-yl]-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CNC1=NN=C(S1)C2CCNC(=O)C2

DOS

IR

Vibrations