Geometry & MOs

Info

ID:	10831
PubChem CID:	108344
Reduced:	O3N4C23H38 (1)
Stoich.:	A3B4C23D38 (1)
Weight, g/mol:	418.294391
ΔH_f, kcal/mol:	-169.37
Dipole, Da:	4.92
IP(EA), eV:	-9.83(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)CNC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)N=C=O)C

DOS

IR

Vibrations