Geometry & MOs

Info

ID:	312592
PubChem CID:	126606718
Reduced:	OC13H18 (2)
Stoich.:	AB13C18 (2)
Weight, g/mol:	628.271561
ΔH_f, kcal/mol:	-24.46
Dipole, Da:	2.65
IP(EA), eV:	-8.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-anilinopyridin-4-yl)oxynaphthalen-1-yl]-3-[2-[3-(dimethylphosphanylmethyl)phenyl]-5-propan-2-ylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCCC1=C(C(=C\2C(=CCC=C(/C2=C/C)C)C13OCC(CO3)(C)C)C=C)CC

DOS

IR

Vibrations