Geometry & MOs

Info

ID:	284452
PubChem CID:	104046711
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	285.108897
ΔH_f, kcal/mol:	-49.52
Dipole, Da:	3.82
IP(EA), eV:	-9.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyano-2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)NCC(C)(C)C#N

DOS

IR

Vibrations