Geometry & MOs

Info

ID:	281406
PubChem CID:	103913824
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	4.39
IP(EA), eV:	-8.14(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]-4-methoxyphenol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)OC)O)NCCN2CCSCC2

DOS

IR

Vibrations