Geometry & MOs

Info

ID:	432190
PubChem CID:	135172322
Reduced:	O2N7C21H27 (1)
Stoich.:	A2B7C21D27 (1)
Weight, g/mol:	204.076199
ΔH_f, kcal/mol:	19.44
Dipole, Da:	3.67
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propyl-2-(trifluoromethyl)oxepine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C2=NC(=C(C(=C2)NCC3=NN=C(O3)C)C(=N)C(C)C)NC

DOS

IR

Vibrations