Geometry & MOs

Info

ID:	322869
PubChem CID:	126671492
Reduced:	O2N3H23C25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	251.206071
ΔH_f, kcal/mol:	55.4
Dipole, Da:	2.58
IP(EA), eV:	-9.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine

Drug info:

PubChemData

Smile

CC1=NOC2=C1C3=CC=CC=C3C(=N[C@H]2CC(=O)C(C)(C)C)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations