Geometry & MOs

Info

ID:	149005
PubChem CID:	53788676
Reduced:	ON4C13H14 (2)
Stoich.:	AB4C13D14 (2)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	50.41
Dipole, Da:	10.38
IP(EA), eV:	-9.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-cyano-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)-3-propylurea

Drug info:

PubChemData

Smile

CCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4N5C=NN=N5)C(=O)N(C(=O)N2)CC

DOS

IR

Vibrations