Geometry & MOs

Info

ID:	444719
PubChem CID:	135263370
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	346.258006
ΔH_f, kcal/mol:	-145.1
Dipole, Da:	7.4
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylcarbamic acid

Drug info:

PubChemData

Smile

COC(=O)C1CCN(CC1)C2=NC=C(C=N2)CC(=O)O

DOS

IR

Vibrations