Geometry & MOs

Info

ID:	311496
PubChem CID:	126592965
Reduced:	BrFO2N6C26H26 (1)
Stoich.:	ABC2D6E26F26 (1)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	3.64
Dipole, Da:	3.52
IP(EA), eV:	-8.36(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]aniline

Drug info:

PubChemData

Smile

C1CC1N2C=C(C=N2)C3=CC=C(C=C3)NC(=O)N4CCC(CC4)C(=O)C(=NC5=CC(=C(C=C5)F)Br)N

DOS

IR

Vibrations