Geometry & MOs

Info

ID:	352050
PubChem CID:	127283118
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-115.5
Dipole, Da:	2.15
IP(EA), eV:	-8.83(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NC2CCN(CC2)C(=O)C

DOS

IR

Vibrations