Geometry & MOs

Info

ID:	318340
PubChem CID:	126650554
Reduced:	N5C14H17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	473.214858
ΔH_f, kcal/mol:	54.08
Dipole, Da:	6.61
IP(EA), eV:	-8.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[(E)-N-tert-butyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[(3-nitroquinolin-4-yl)amino]ethyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C(=NC3=CC=CC(=C32)CCCN)N

DOS

IR

Vibrations