Geometry & MOs

Info

ID:	326840
PubChem CID:	126688376
Reduced:	F3N4O5H21C24 (1)
Stoich.:	A3B4C5D21E24 (1)
Weight, g/mol:	269.101171
ΔH_f, kcal/mol:	-271.72
Dipole, Da:	6.47
IP(EA), eV:	-8.86(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dinitroanilino)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1CN(C(=O)OC1)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC5(CC5)C(=O)O

DOS

IR

Vibrations