Geometry & MOs

Info

ID:	275850
PubChem CID:	103818440
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	98.5
Dipole, Da:	5.44
IP(EA), eV:	-8.45(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)CNC2=CC(=CC=C2)N3C=CC=N3

DOS

IR

Vibrations