Geometry & MOs

Info

ID:	143599
PubChem CID:	53233305
Reduced:	N2C25H32 (2)
Stoich.:	A2B25C32 (2)
Weight, g/mol:	381.137636
ΔH_f, kcal/mol:	131.43
Dipole, Da:	25.77
IP(EA), eV:	-4.97(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1-(2-methoxyethyl)indol-5-yl] acetate

Drug info:

PubChemData

Smile

CC1(C(=[N+](C2=CC=CC=C12)CCCCCCCCCC[N+]3=C(C(C4=CC=CC=C34)(C)C)/C=C/C5=CC=C(C=C5)N(C)C)/C=C/C6=CC=C(C=C6)N(C)C)C

DOS

IR

Vibrations