Geometry & MOs

Info

ID:	389706
PubChem CID:	134994553
Reduced:	INO2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	183.1987
ΔH_f, kcal/mol:	-11.39
Dipole, Da:	3.02
IP(EA), eV:	-9.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-pentylazepane

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@H](C2)C1(C[N+](=O)[O-])I)C

DOS

IR

Vibrations