Geometry & MOs

Info

ID:	322400
PubChem CID:	126669998
Reduced:	FN2O3C32H35 (1)
Stoich.:	AB2C3D32E35 (1)
Weight, g/mol:	438.247127
ΔH_f, kcal/mol:	-119.6
Dipole, Da:	4.49
IP(EA), eV:	-8.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-but-3-enyl-5-fluorophenyl)isoquinolin-3-yl]-N-[(3-ethylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NC(C)C2=CC3=CC=CC=C3C(=N2)C4=CC(=CC(=C4)CCC(=O)OC(C)C)F

DOS

IR

Vibrations