Geometry & MOs

Info

ID:	170605
PubChem CID:	75258627
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	353.190341
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	3.39
IP(EA), eV:	-8.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)NCC2CC(=O)NC(N2)CC3=CC=CC=C3OC

DOS

IR

Vibrations