Geometry & MOs

Info

ID:	155069
PubChem CID:	56320642
Reduced:	OCl2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	459.18821
ΔH_f, kcal/mol:	25.83
Dipole, Da:	6.78
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=N2)CCNC(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations