Geometry & MOs

Info

ID:	354281
PubChem CID:	127286245
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-45.19
Dipole, Da:	6.06
IP(EA), eV:	-8.19(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexyl-2-hydroxyethyl)-3-(3,4-dihydro-2H-chromen-6-yl)urea

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCC(CC3)C#N)OC1

DOS

IR

Vibrations