Geometry & MOs

Info

ID:	181449
PubChem CID:	76747722
Reduced:	WN2O4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	420.17731
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	4.83
IP(EA), eV:	-6.45(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)butan-2-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1(N([CH-]CO1)C(=O)OC(C)(C)C)C.[CH2-]CC1=CC=C(C=C1)OC#N.[W+2]

DOS

IR

Vibrations