Geometry & MOs

Info

ID:	270497
PubChem CID:	103636892
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	375.04437
ΔH_f, kcal/mol:	-73.2
Dipole, Da:	5.2
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=CC=CC=C2C#N

DOS

IR

Vibrations