Geometry & MOs

Info

ID:	248100
PubChem CID:	103078940
Reduced:	ON4C10H20 (1)
Stoich.:	AB4C10D20 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-10.84
Dipole, Da:	2.97
IP(EA), eV:	-7.78(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-amino-1-methylpyrazol-3-yl)azepan-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)COCCNC1=NN(C=C1N)C

DOS

IR

Vibrations