Geometry & MOs

Info

ID:	354555
PubChem CID:	127287169
Reduced:	OF3N5C14H20 (1)
Stoich.:	AB3C5D14E20 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-157.59
Dipole, Da:	4.78
IP(EA), eV:	-9.01(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC1N2CCN(CC2)C(=O)NCC3=NC=CN3CC(F)(F)F

DOS

IR

Vibrations