Geometry & MOs

Info

ID:	275904
PubChem CID:	103818887
Reduced:	SN4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	310.189257
ΔH_f, kcal/mol:	80.58
Dipole, Da:	6.44
IP(EA), eV:	-8.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]carbamate

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CNC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations