Geometry & MOs

Info

ID:	261963
PubChem CID:	103262443
Reduced:	N3O3C7H13 (1)
Stoich.:	A3B3C7D13 (1)
Weight, g/mol:	255.121906
ΔH_f, kcal/mol:	-125.69
Dipole, Da:	4.18
IP(EA), eV:	-9.17(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-[2-(carbamoylamino)ethylamino]ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)/C=C/NCCNC(=O)N

DOS

IR

Vibrations