Geometry & MOs

Info

ID:	281904
PubChem CID:	103914533
Reduced:	OSN2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-33.3
Dipole, Da:	2.5
IP(EA), eV:	-8.46(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1O)NCCN2CCSCC2

DOS

IR

Vibrations