Geometry & MOs

Info

ID:	149115
PubChem CID:	53788787
Reduced:	ClN7C12H16 (1)
Stoich.:	AB7C12D16 (1)
Weight, g/mol:	282.09831
ΔH_f, kcal/mol:	92.35
Dipole, Da:	2.85
IP(EA), eV:	-9.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-5-tert-butyl-4-methyl-2-(2-methylpropyl)benzene

Drug info:

PubChemData

Smile

CC1=C(N=NC(=N1)NNC(N)NC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations