Geometry & MOs

Info

ID:	425734
PubChem CID:	135127690
Reduced:	F2O3N6C23H24 (1)
Stoich.:	A2B3C6D23E24 (1)
Weight, g/mol:	204.162649
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	4.42
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yl-5-ethenyl-3-methylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCC2=CN(N(N2)C)CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O

DOS

IR

Vibrations