Geometry & MOs

Info

ID:	289077
PubChem CID:	104334177
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	283.108754
ΔH_f, kcal/mol:	-50.33
Dipole, Da:	3.17
IP(EA), eV:	-9.31(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(4-methylpiperidin-4-yl)methyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CC1(CCCNC1)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations