Geometry & MOs

Info

ID:	255195
PubChem CID:	103130615
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-43.64
Dipole, Da:	4.13
IP(EA), eV:	-9.4(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-chromen-3-yl-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations