Geometry & MOs

Info

ID:	447140
PubChem CID:	135280629
Reduced:	ClO2N5C27H32 (1)
Stoich.:	AB2C5D27E32 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	3.24
Dipole, Da:	3.15
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-(pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C/C=C(\C1=CC=CC=C1)/C2=NC(=NC=C2Cl)NC3=CC(=CC(=C3)CN4CCN(CC4)CCO)OC

DOS

IR

Vibrations