Geometry & MOs

Info

ID:	258569
PubChem CID:	103155223
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	272.184841
ΔH_f, kcal/mol:	-38.72
Dipole, Da:	3.19
IP(EA), eV:	-8.93(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-amino-3-methoxybutanoyl)piperidin-3-yl]methylurea

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCN(CC1)C2=NC=CN=C2)CN

DOS

IR

Vibrations