Geometry & MOs

Info

ID:	379184
PubChem CID:	134356671
Reduced:	F3O3N4H25C26 (1)
Stoich.:	A3B3C4D25E26 (1)
Weight, g/mol:	157.146664
ΔH_f, kcal/mol:	-187.71
Dipole, Da:	6.21
IP(EA), eV:	-9.2(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyloxocan-5-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2C3=CC=C(C=C3)OC4=CC=C(C=C4)C(F)(F)F)CNC(CCC(=O)O)CN

DOS

IR

Vibrations