Geometry & MOs

Info

ID:	368983
PubChem CID:	127331087
Reduced:	SO3N5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	360.241293
ΔH_f, kcal/mol:	-90.45
Dipole, Da:	5.85
IP(EA), eV:	-9.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycycloheptyl)methyl]-3-[(2-phenyloxan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CN(CC1=NC=CN=C1)C(=O)NC2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations