Geometry & MOs

Info

ID:	347005
PubChem CID:	127271509
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-47.47
Dipole, Da:	3.21
IP(EA), eV:	-9.47(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-(1-phenylcyclopropyl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)OCCNC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations