Geometry & MOs

Info

ID:	85245
PubChem CID:	49872931
Reduced:	OSN4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	228.106277
ΔH_f, kcal/mol:	28.8
Dipole, Da:	5.03
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-(2-fluorophenyl)ethylideneamino]-N-prop-2-ynylprop-2-yn-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)N2C(=O)N(CC2(C)C)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations