Geometry & MOs

Info

ID:	188418
PubChem CID:	77714821
Reduced:	F3N5O5C27H36 (1)
Stoich.:	A3B5C5D27E36 (1)
Weight, g/mol:	500.303893
ΔH_f, kcal/mol:	-349.02
Dipole, Da:	6.77
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[[3-hydroxy-1-[4-(1-methylpiperidin-4-yl)phenyl]propyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(=O)C3CCCN3C(C(C)C)C(C(F)(F)F)(O)O

DOS

IR

Vibrations