Geometry & MOs

Info

ID:	255281
PubChem CID:	103131120
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	193.157898
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	1.7
IP(EA), eV:	-8.3(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(1-methylpyrazol-3-yl)azepane

Drug info:

PubChemData

Smile

CCNC(C1CN2CCCC2CO1)C3=NN(C=C3)C

DOS

IR

Vibrations