Geometry & MOs

Info

ID:	291507
PubChem CID:	112960255
Reduced:	N5C22H31 (1)
Stoich.:	A5B22C31 (1)
Weight, g/mol:	346.144806
ΔH_f, kcal/mol:	50.26
Dipole, Da:	4.94
IP(EA), eV:	-8.53(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea

Drug info:

PubChemData

Smile

CCC1CCCCN1C2=NC(=CN=N2)N3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations