Geometry & MOs

Info

ID:	49219
PubChem CID:	11531985
Reduced:	FPO5C21H44 (1)
Stoich.:	ABC5D21E44 (1)
Weight, g/mol:	426.268257
ΔH_f, kcal/mol:	-430.35
Dipole, Da:	3.1
IP(EA), eV:	-10.13(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluoro-4-methoxyphenyl)-2-methyl-7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)F)O

DOS

IR

Vibrations