Geometry & MOs

Info

ID:	11514
PubChem CID:	117087
Reduced:	O2N4C41H68 (1)
Stoich.:	A2B4C41D68 (1)
Weight, g/mol:	648.534227
ΔH_f, kcal/mol:	-165.53
Dipole, Da:	3.46
IP(EA), eV:	-8.97(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tridecyl-3-[4-[[4-(tridecylcarbamoylamino)phenyl]methyl]phenyl]urea

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCCCCCCCCCCC

DOS

IR

Vibrations