Geometry & MOs

Info

ID:	346749
PubChem CID:	127271253
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-151.33
Dipole, Da:	2.61
IP(EA), eV:	-8.2(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCC(C2)CNC(=O)NCC3COCCO3

DOS

IR

Vibrations