Geometry & MOs

Info

ID:	175043
PubChem CID:	75849934
Reduced:	N3O4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	375.186815
ΔH_f, kcal/mol:	-83.84
Dipole, Da:	10.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.098823
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxyethoxy)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(CNC(=O)C2=CN=C3C=CC=C[NH+]3C2=O)O

DOS

IR

Vibrations