Geometry & MOs

Info

ID:	369030
PubChem CID:	127331136
Reduced:	SO3N4C14H26 (1)
Stoich.:	AB3C4D14E26 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-143.51
Dipole, Da:	6.19
IP(EA), eV:	-8.78(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(CCO1)C(=O)NCCN2CCSCC2

DOS

IR

Vibrations