Geometry & MOs

Info

ID:	296877
PubChem CID:	117598535
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	740.353363
ΔH_f, kcal/mol:	-161.28
Dipole, Da:	4.78
IP(EA), eV:	-9.54(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-tert-butyl-2-methoxyphenyl)-3-[4-[2-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anilino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C12CCC(CC1)(CC2)C(=O)O

DOS

IR

Vibrations