Geometry & MOs

Info

ID:	170618
PubChem CID:	75259075
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	340.181173
ΔH_f, kcal/mol:	-103.12
Dipole, Da:	5.92
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)C2=CC=CC=C2CN3CCC4(CCCCC4C3)O

DOS

IR

Vibrations