Geometry & MOs

Info

ID:	283447
PubChem CID:	103981779
Reduced:	N2F4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-193.53
Dipole, Da:	7.54
IP(EA), eV:	-8.6(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(oxan-2-ylmethylamino)azepane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CCNC1)NC2=CC(=C(C=C2)F)C(F)(F)F

DOS

IR

Vibrations