Geometry & MOs

Info

ID:	50052
PubChem CID:	11539038
Reduced:	FO2N5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	422.21697
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	3.52
IP(EA), eV:	-8.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[(3S)-3-[(3-fluorophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-fluorophenyl)butan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC=C1)NC2=NC(=NC=C2F)NC3=C(C4=C(C=C3)OC4)C(=O)NC

DOS

IR

Vibrations