Geometry & MOs

Info

ID:	364156
PubChem CID:	127314332
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	7.43
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methyloxetan-3-yl)methyl]-3-(3-methyl-1-thiophen-2-ylbutyl)urea

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)CNC(=O)N3CCC4=CN=CN=C4C3)OC1

DOS

IR

Vibrations