Geometry & MOs

Info

ID:	69582
PubChem CID:	47193879
Reduced:	IO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	7.71
IP(EA), eV:	-8.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-butylphenyl)-3-[(2-methylcyclopropyl)methyl]urea

Drug info:

PubChemData

Smile

C1CC1C(=O)NCCNC(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations