Geometry & MOs

Info

ID:	77528
PubChem CID:	49649988
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	0.72
Dipole, Da:	2.12
IP(EA), eV:	-8.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-cyano-3-cyclobutyl-3-oxopropanoyl)phenyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CC(=O)C(C#N)C(=O)C3CCC3

DOS

IR

Vibrations