Geometry & MOs

Info

ID:	438222
PubChem CID:	135227916
Reduced:	F2N7C21H21 (1)
Stoich.:	A2B7C21D21 (1)
Weight, g/mol:	182.178299
ΔH_f, kcal/mol:	44.27
Dipole, Da:	2.48
IP(EA), eV:	-8.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-2-tert-butylbut-2-enylidene]amino]propan-1-amine

Drug info:

PubChemData

Smile

C/C(=N/N)/C(=NC)C1=CC(=C(C=C1)N)NC(C2=NC=C(C=C2)F)C3=NC=C(C=C3)F

DOS

IR

Vibrations