Geometry & MOs

Info

ID:	165456
PubChem CID:	74552580
Reduced:	N3O7H20C21 (1)
Stoich.:	A3B7C20D21 (1)
Weight, g/mol:	171.095595
ΔH_f, kcal/mol:	-32.17
Dipole, Da:	11.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.940904
Charge, e:	1

Chem-info

IUPAC name:

[2-(dimethylamino)-2-thiophen-2-ylethyl]azanium

Drug info:

PubChemData

Smile

C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)[O-]

DOS

IR

Vibrations