Geometry & MOs

Info

ID:	256312
PubChem CID:	103138382
Reduced:	BrON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	12.59
Dipole, Da:	5.3
IP(EA), eV:	-9.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyloxolan-3-yl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)C(C2=NN(C=C2)C)O

DOS

IR

Vibrations