Geometry & MOs

Info

ID:	285093
PubChem CID:	104097728
Reduced:	ClSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	23.58
Dipole, Da:	7.65
IP(EA), eV:	-9.5(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]-1-(2-propan-2-yloxypyridin-3-yl)methanamine

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)Cl)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations