Geometry & MOs

Info

ID:	271000
PubChem CID:	103639366
Reduced:	ClN6C8H9 (1)
Stoich.:	AB6C8D9 (1)
Weight, g/mol:	323.184506
ΔH_f, kcal/mol:	72.08
Dipole, Da:	1.89
IP(EA), eV:	-9.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-ethyl-N-[2-[(4-nitrophenyl)methylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)Cl)NCC2=NC=NN2

DOS

IR

Vibrations