Geometry & MOs

Info

ID:	351090
PubChem CID:	127279527
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-131.39
Dipole, Da:	5.54
IP(EA), eV:	-8.75(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzoylpiperidin-4-yl)-3-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(CO2)NC(=O)NCC3CN(CCO3)CC(C)C)C

DOS

IR

Vibrations