Geometry & MOs

Info

ID:	320565
PubChem CID:	126661753
Reduced:	FON2H21C22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	268.137577
ΔH_f, kcal/mol:	-14.85
Dipole, Da:	3.56
IP(EA), eV:	-9.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=CC(=C2C)/C=C/3\CCCCNC3=O)C#N)F

DOS

IR

Vibrations