Geometry & MOs

Info

ID:	197072
PubChem CID:	78917701
Reduced:	NOF2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	2.13
IP(EA), eV:	-9.4(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=C2C=CC=NC2=C1)C(C3=C(C=C(C=C3)F)F)O

DOS

IR

Vibrations