Geometry & MOs

Info

ID:	188305
PubChem CID:	77696240
Reduced:	N2O5C27H30 (1)
Stoich.:	A2B5C27D30 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-157.17
Dipole, Da:	7.75
IP(EA), eV:	-8.91(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-ylidene]-6-(6-oxocyclohexa-2,4-dien-1-ylidene)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CN(C(C)C(=O)O)C(=O)OC3=CC=C(C=C3)C

DOS

IR

Vibrations