Geometry & MOs

Info

ID:	57573
PubChem CID:	22425498
Reduced:	ClN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	411.059753
ΔH_f, kcal/mol:	61.86
Dipole, Da:	6.45
IP(EA), eV:	-8.82(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2=NN=C(C=C2)Cl

DOS

IR

Vibrations