Geometry & MOs

Info

ID:	287330
PubChem CID:	104236984
Reduced:	ClN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	309.095413
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	4.37
IP(EA), eV:	-9.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C)N(C)C(=O)COC1=C(C=C(C=C1)C(C)NC)Cl

DOS

IR

Vibrations