Geometry & MOs

Info

ID:	167190
PubChem CID:	74793211
Reduced:	F2N2O2C18H25 (1)
Stoich.:	A2B2C2D18E25 (1)
Weight, g/mol:	378.218152
ΔH_f, kcal/mol:	-150.55
Dipole, Da:	8.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.032350
Charge, e:	1

Chem-info

IUPAC name:

[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-[(3-hydroxy-4-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

COCCN1CCCC2(C1=O)CC[NH+](C2)CC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations