Geometry & MOs

Info

ID:	405698
PubChem CID:	135075040
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	2.64
IP(EA), eV:	-8.98(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethoxy-3,5-dimethyl-4-phenylmethoxyphenyl)-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/CC[C@H]2CN2C(=O)OC(C)(C)C

DOS

IR

Vibrations