Geometry & MOs

Info

ID:	231468
PubChem CID:	87573807
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	422.253355
ΔH_f, kcal/mol:	-43.69
Dipole, Da:	2.55
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-fluoroethyl)-2-N-(2-fluoro-5-methyl-6-phenylhex-3-yn-2-yl)-1-N-(1-phenylprop-2-ynyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=CC(=C2[N+](=O)[O-])C[C@@H](C(=O)O)N=C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations