Geometry & MOs

Info

ID:	345346
PubChem CID:	127269646
Reduced:	FN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	6.99
IP(EA), eV:	-8.32(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohex-3-en-1-ylmethyl)-3-(3,4-dihydro-2H-chromen-6-yl)urea

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)OC1

DOS

IR

Vibrations