Geometry & MOs

Info

ID:	145049
PubChem CID:	53452683
Reduced:	NO2C24H30 (1)
Stoich.:	AB2C24D30 (1)
Weight, g/mol:	381.192666
ΔH_f, kcal/mol:	-13.25
Dipole, Da:	5.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.893967
Charge, e:	1

Chem-info

IUPAC name:

2-[2-amino-3-cyano-4-(2-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(CC[NH2+]CC2=CC=CO2)CC3=CC=CC=C3

DOS

IR

Vibrations