Geometry & MOs

Info

ID:	320593
PubChem CID:	126661954
Reduced:	OS3N5H21C25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	282.153227
ΔH_f, kcal/mol:	126.94
Dipole, Da:	4.99
IP(EA), eV:	-8.67(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(4-fluorophenyl)methyl]-2,6-dimethyl-4-N-prop-2-ynylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CSC(=N3)C4=CC=CS4)SC5=CC=C(C=C5)C#N

DOS

IR

Vibrations