Geometry & MOs

Info

ID:	285096
PubChem CID:	104097828
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	243.067762
ΔH_f, kcal/mol:	28.46
Dipole, Da:	4.86
IP(EA), eV:	-8.64(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(5-nitrothiophen-2-yl)methylamino]propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations