Geometry & MOs

Info

ID:	257138
PubChem CID:	103144000
Reduced:	FN2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	213.126598
ΔH_f, kcal/mol:	26.07
Dipole, Da:	3.42
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C3=C(C=CC(=C3)CN)F

DOS

IR

Vibrations