Geometry & MOs

Info

ID:	65331
PubChem CID:	29214679
Reduced:	NC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	455.304896
ΔH_f, kcal/mol:	83.25
Dipole, Da:	11.89
IP(EA), eV:	-6.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-N-methyl-2-phenylethanamine

Drug info:

PubChemData

Smile

C1CC[NH+]([C@@H](C1)CCC2=CC=CC=[NH+]2)CC3=CC=NN3

DOS

IR

Vibrations