Geometry & MOs

Info

ID:	304057
PubChem CID:	124491823
Reduced:	BrOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-30.48
Dipole, Da:	2.78
IP(EA), eV:	-9.59(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-methoxy-2,2-dimethylpropyl]aniline

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=CC=C1)Br)OC

DOS

IR

Vibrations