Geometry & MOs

Info

ID:	255130
PubChem CID:	103130203
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-40.6
Dipole, Da:	2.35
IP(EA), eV:	-9.15(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-(1-methylpyrazol-3-yl)butanal

Drug info:

PubChemData

Smile

CC1(CCCC(CC1)(C2=NN(C=C2)C)O)C

DOS

IR

Vibrations