Geometry & MOs

Info

ID:	255128
PubChem CID:	103130188
Reduced:	ON2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	-34.35
Dipole, Da:	2.27
IP(EA), eV:	-9.17(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazol-3-yl)oxepan-4-ol

Drug info:

PubChemData

Smile

CC1CCCC(C1C)(C2=NN(C=C2)C)O

DOS

IR

Vibrations