Geometry & MOs

Info

ID:	441474
PubChem CID:	135235175
Reduced:	SN2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	299.08848
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	2.74
IP(EA), eV:	-8.17(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-tert-butyl-4-(2-methoxypropan-2-yl)aniline

Drug info:

PubChemData

Smile

CC1(NC2=C(N1)C(=C(C=C2)C(C)(C)C)S)C

DOS

IR

Vibrations