Geometry & MOs

Info

ID:	271902
PubChem CID:	103698243
Reduced:	FNSO4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	281.199094
ΔH_f, kcal/mol:	-195.51
Dipole, Da:	5.21
IP(EA), eV:	-9.6(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine

Drug info:

PubChemData

Smile

CC1(CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)F)C(=O)OC)C

DOS

IR

Vibrations