Geometry & MOs

Info

ID:	345638
PubChem CID:	127269938
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-92.73
Dipole, Da:	2.61
IP(EA), eV:	-8.71(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(1,4-dioxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NCC4COCCO4

DOS

IR

Vibrations