Geometry & MOs

Info

ID:	179984
PubChem CID:	76562328
Reduced:	ON7C18H19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	494.168916
ΔH_f, kcal/mol:	59.62
Dipole, Da:	3.26
IP(EA), eV:	-8.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[3-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=NN=C(N)N)C1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC=C(C=C3)N

DOS

IR

Vibrations