Geometry & MOs

Info

ID:	48312
PubChem CID:	10538816
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	10.79
Dipole, Da:	3.09
IP(EA), eV:	-9.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-(N-amino-3-methoxyanilino)ethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC2=CC=C(C=C2)C=O)/C=N/O

DOS

IR

Vibrations