Geometry & MOs

Info

ID:	365912
PubChem CID:	127319177
Reduced:	NOC6H11 (3)
Stoich.:	ABC6D11 (3)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-158.56
Dipole, Da:	4.16
IP(EA), eV:	-8.63(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1CC2CCCN(C2)C(=O)NCC3COCCO3

DOS

IR

Vibrations