Geometry & MOs

Info

ID:	312158
PubChem CID:	126603384
Reduced:	O2N7C23H33 (1)
Stoich.:	A2B7C23D33 (1)
Weight, g/mol:	265.220578
ΔH_f, kcal/mol:	-34.29
Dipole, Da:	4.64
IP(EA), eV:	-8.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-tert-butyl-2-propan-2-ylphenyl)-2-fluorobutan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)OC3=CN(C(=O)N=C3N2)C4CCC(CC4)NCCCN=C(N)N

DOS

IR

Vibrations