Geometry & MOs

Info

ID:	310140
PubChem CID:	126575113
Reduced:	NO2C22H33 (1)
Stoich.:	AB2C22D33 (1)
Weight, g/mol:	243.194677
ΔH_f, kcal/mol:	-103.83
Dipole, Da:	5.12
IP(EA), eV:	-8.3(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropanoylamino)urea

Drug info:

PubChemData

Smile

CC1CC2(CCCCCCC2)C(N1C3=C(C=C(C=C3)C(=O)OC)C)C

DOS

IR

Vibrations