Geometry & MOs

Info

ID:	275888
PubChem CID:	103818755
Reduced:	FN6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	69.17
Dipole, Da:	9.71
IP(EA), eV:	-8.71(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(3-imidazol-1-ylanilino)ethyl]carbamate

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=CC(=C(C=C2)N3C=NC=N3)F

DOS

IR

Vibrations