Geometry & MOs

Info

ID:	171617
PubChem CID:	75406158
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-9.52
Dipole, Da:	5.87
IP(EA), eV:	-8.26(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxycyclohexyl)-1-methyl-3-prop-2-ynylurea

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)N(N=C2C(=O)NC3=CC=C(C=C3)O)C4=CC=CC=C4

DOS

IR

Vibrations