Geometry & MOs

Info

ID:	229109
PubChem CID:	87566966
Reduced:	BrNPF2O4C14H19 (1)
Stoich.:	ABCD2E4F14G19 (1)
Weight, g/mol:	418.142195
ΔH_f, kcal/mol:	-331.56
Dipole, Da:	2.32
IP(EA), eV:	-9.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butylazanide;1-[2-(2-ethylphenyl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine;titanium(2+);dihydrochloride

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=C(C=C(C=C1)CNC(=O)C)Br)(F)F)OCC

DOS

IR

Vibrations