Geometry & MOs

Info

ID:	205317
PubChem CID:	80085452
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-67.33
Dipole, Da:	3.93
IP(EA), eV:	-8.76(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(2-hydroxyethyl)-5-methyl-2-nitroanilino]ethanol

Drug info:

PubChemData

Smile

CC1CCC(C(N1)C)NC(=O)CC2=C(C=CC(=C2)C)C

DOS

IR

Vibrations