Geometry & MOs

Info

ID:	283462
PubChem CID:	103983724
Reduced:	N2O3C14H26 (1)
Stoich.:	A2B3C14D26 (1)
Weight, g/mol:	219.173548
ΔH_f, kcal/mol:	-153.44
Dipole, Da:	3.23
IP(EA), eV:	-9.18(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]azepane

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)NCCC2CCCCO2

DOS

IR

Vibrations