Geometry & MOs

Info

ID:	175689
PubChem CID:	75937434
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	345.20006
ΔH_f, kcal/mol:	-92.18
Dipole, Da:	3.05
IP(EA), eV:	-8.38(0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-oxo-2-[[(4-propylphenyl)-thiophen-2-ylmethyl]amino]ethyl]-propan-2-ylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)NC(=O)N2CCCC2C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations