Geometry & MOs

Info

ID:	400818
PubChem CID:	135049166
Reduced:	BClNC8H17 (2)
Stoich.:	ABCD8E17 (2)
Weight, g/mol:	440.225821
ΔH_f, kcal/mol:	-190.68
Dipole, Da:	0.71
IP(EA), eV:	-8.85(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[(3S,4R)-4-(4-methoxyphenyl)-3,4-dimethylhexan-3-yl]benzenediazonium;tetrafluoroborate

Drug info:

PubChemData

Smile

B(/C(=C(\B(N(C(C)C)C(C)C)Cl)/C)/C)(N(C(C)C)C(C)C)Cl

DOS

IR

Vibrations