Geometry & MOs

Info

ID:	252855
PubChem CID:	103114617
Reduced:	F2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-56.07
Dipole, Da:	4.17
IP(EA), eV:	-9.73(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations