Geometry & MOs

Info

ID:	49560
PubChem CID:	11533259
Reduced:	N3O4C29H35 (1)
Stoich.:	A3B4C29D35 (1)
Weight, g/mol:	489.136781
ΔH_f, kcal/mol:	-106.34
Dipole, Da:	4.01
IP(EA), eV:	-8.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(E)-2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethenyl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCCN(C)CC5CCCO5

DOS

IR

Vibrations