Geometry & MOs

Info

ID:	61396
PubChem CID:	26708844
Reduced:	F2N2O3H24C26 (1)
Stoich.:	A2B2C3D24E26 (1)
Weight, g/mol:	470.220557
ΔH_f, kcal/mol:	-171.07
Dipole, Da:	7.11
IP(EA), eV:	-8.77(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations