Geometry & MOs

Info

ID:	345374
PubChem CID:	127269674
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	5.29
IP(EA), eV:	-8.15(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCN(CC3)CC4=CSC=N4)OC1

DOS

IR

Vibrations