Geometry & MOs

Info

ID:	296307
PubChem CID:	117567127
Reduced:	BrN2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	248.225249
ΔH_f, kcal/mol:	6.43
Dipole, Da:	2.82
IP(EA), eV:	-8.43(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-tert-butylphenyl)-2,2-dimethylbutane-1,4-diamine

Drug info:

PubChemData

Smile

CC(CCCNC1=CC=C(C=C1)Br)N

DOS

IR

Vibrations