Geometry & MOs

Info

ID:	400820
PubChem CID:	135049168
Reduced:	N2O2C22H29 (1)
Stoich.:	A2B2C22D29 (1)
Weight, g/mol:	554.227062
ΔH_f, kcal/mol:	2.76
Dipole, Da:	4.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942916
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R,4S)-4-(3-diazonio-4-methoxyphenyl)-3,4-dimethylhexan-3-yl]-2-methoxybenzenediazonium;ditetrafluoroborate

Drug info:

PubChemData

Smile

CC[C@](C)(C1=CC=C(C=C1)OC)[C@@](C)(CC)C2=CC(=C(C=C2)OC)[N+]#N

DOS

IR

Vibrations