Geometry & MOs

Info

ID:	280102
PubChem CID:	103846881
Reduced:	ClN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	326.293328
ΔH_f, kcal/mol:	-82.15
Dipole, Da:	2.87
IP(EA), eV:	-9.99(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(octylamino)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1(CC(CCO1)NC(=O)C2=CC(=NC=C2[N+](=O)[O-])Cl)C

DOS

IR

Vibrations