Geometry & MOs

Info

ID:	351091
PubChem CID:	127279528
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-98.18
Dipole, Da:	4.01
IP(EA), eV:	-8.85(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpiperidin-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)NC3CCN(CC3)C(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations