Geometry & MOs

Info

ID:	285092
PubChem CID:	104097727
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	310.054277
ΔH_f, kcal/mol:	14.73
Dipole, Da:	8.17
IP(EA), eV:	-8.88(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-[(5-nitrothiophen-2-yl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NCC3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations