Geometry & MOs

Info

ID:	135752
PubChem CID:	51928179
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	270.07712
ΔH_f, kcal/mol:	-12.18
Dipole, Da:	6.12
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-3-(6-chloro-1,3-benzodioxol-5-yl)urea

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)NC1=CC=CC2=C1C=CC=N2

DOS

IR

Vibrations