Geometry & MOs

Info

ID:	369028
PubChem CID:	127331134
Reduced:	F3O3N6C15H19 (1)
Stoich.:	A3B3C6D15E19 (1)
Weight, g/mol:	315.198048
ΔH_f, kcal/mol:	-242.73
Dipole, Da:	2.01
IP(EA), eV:	-8.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycycloheptyl)methyl]-3-(2-thiomorpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)NC3CCN(C3=O)CC(F)(F)F

DOS

IR

Vibrations