Geometry & MOs

Info

ID:	312390
PubChem CID:	126604569
Reduced:	O4C15H28 (1)
Stoich.:	A4B15C28 (1)
Weight, g/mol:	179.1674
ΔH_f, kcal/mol:	-155.88
Dipole, Da:	2.53
IP(EA), eV:	-9.33(1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4,6-dimethylcyclohexa-2,4-dien-1-amine

Drug info:

PubChemData

Smile

C[C@H](COC[C@H](COCC1CC1)OCC2CC2)OC

DOS

IR

Vibrations