Geometry & MOs

Info

ID:	216957
PubChem CID:	85087033
Reduced:	NOF3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	319.083806
ΔH_f, kcal/mol:	-134.44
Dipole, Da:	3.59
IP(EA), eV:	-9.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)ethenyl hydrogen sulfate;1,1-dimethylguanidine

Drug info:

PubChemData

Smile

CC1(C(N1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)CC(F)(F)F

DOS

IR

Vibrations