Geometry & MOs

Info

ID:	279592
PubChem CID:	103844416
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	2.73
IP(EA), eV:	-8.97(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(2-methyl-6-nitroanilino)methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=NC2=C1CCC2)CO

DOS

IR

Vibrations