Geometry & MOs

Info

ID:	441416
PubChem CID:	135234579
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	440.231122
ΔH_f, kcal/mol:	-95.13
Dipole, Da:	1.99
IP(EA), eV:	-9.23(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[1-[dimethoxymethyl(methyl)amino]butan-2-yl]furo[3,2-c]pyridin-4-yl]oxy-2-methylphenyl]propan-1-one

Drug info:

PubChemData

Smile

C/C=C\C1C2C(C(O1)C)C(=O)N(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations