Geometry & MOs

Info

ID:	342367
PubChem CID:	127265190
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-20.12
Dipole, Da:	6.81
IP(EA), eV:	-9.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methoxycyclobutyl)methyl]-3-pent-3-enylurea

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1CCN(C1)CC=CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations