Geometry & MOs

Info

ID:	44193
PubChem CID:	10501889
Reduced:	NSO4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	413.235479
ΔH_f, kcal/mol:	-132.53
Dipole, Da:	5.71
IP(EA), eV:	-8.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[4-[3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC=C1CCSC(=O)C2=CC=CC=C2OCC=C

DOS

IR

Vibrations