Geometry & MOs

Info

ID:	145485
PubChem CID:	53534375
Reduced:	Cl2N3O4H17C19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	365.135111
ΔH_f, kcal/mol:	-124.65
Dipole, Da:	4.16
IP(EA), eV:	-8.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-[(1-phenylcyclobutyl)methyl]urea

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OCC(CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)O

DOS

IR

Vibrations