Geometry & MOs

Info

ID:	136766
PubChem CID:	52097025
Reduced:	SN3O3H23C24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	423.134969
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	8.36
IP(EA), eV:	-8.99(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[3-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCCN2C(=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O)C

DOS

IR

Vibrations