Geometry & MOs

Info

ID:	161828
PubChem CID:	57392794
Reduced:	ClO3N7C9H12 (1)
Stoich.:	AB3C7D9E12 (1)
Weight, g/mol:	205.126678
ΔH_f, kcal/mol:	-72.59
Dipole, Da:	3.24
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-fluoro-N-methyl-3-phenyl-N-prop-2-ynylpropan-2-amine

Drug info:

PubChemData

Smile

COC(=O)CNC1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N

DOS

IR

Vibrations